 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer07_STD_B3LYPDBJ_def2SVPD.in
 Output=31_naproxen_conformer07_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-26442.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     26454.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer07_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:42:52 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer07_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.647466000000     -0.507821000000     -0.190768000000
  C                                                -1.077854000000      0.848890000000     -0.283737000000
  C                                                 0.729812000000     -0.810631000000     -0.325382000000
  C                                                 1.666014000000      0.171296000000     -0.544574000000
  C                                                 1.224426000000      1.518888000000     -0.634141000000
  C                                                -0.095519000000      1.847305000000     -0.510964000000
  C                                                -1.620346000000     -1.504235000000      0.030174000000
  H                                                 1.028417000000     -1.849396000000     -0.262480000000
  H                                                 1.958991000000      2.296811000000     -0.804780000000
  H                                                -0.409397000000      2.880973000000     -0.586908000000
  C                                                 3.149491000000     -0.109147000000     -0.638141000000
  C                                                 3.513374000000     -1.523377000000     -1.111890000000
  C                                                 3.892002000000      0.146002000000      0.683653000000
  H                                                 3.589494000000      0.601618000000     -1.339688000000
  H                                                 3.036271000000     -1.735553000000     -2.068831000000
  H                                                 3.199758000000     -2.284180000000     -0.395852000000
  H                                                 4.592748000000     -1.602696000000     -1.229908000000
  O                                                 5.062060000000      0.400852000000      0.731679000000
  O                                                 3.167488000000      0.013457000000      1.815440000000
  H                                                 2.235282000000     -0.131723000000      1.586956000000
  C                                                -2.950314000000     -1.190901000000      0.157052000000
  C                                                -3.370558000000      0.155926000000      0.065064000000
  C                                                -2.444381000000      1.152719000000     -0.152345000000
  O                                                -4.667931000000      0.545168000000      0.179928000000
  C                                                -5.662349000000     -0.440795000000      0.404455000000
  H                                                -1.305354000000     -2.538205000000      0.101013000000
  H                                                -3.668320000000     -1.978990000000      0.326462000000
  H                                                -2.783917000000      2.177944000000     -0.220901000000
  H                                                -5.493272000000     -0.973311000000      1.344574000000
  H                                                -5.705913000000     -1.160181000000     -0.418101000000
  H                                                -6.605720000000      0.096347000000      0.461347000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426374   0.000000
     3  C    1.416584   2.454262   0.000000
     4  C    2.436918   2.838306   1.374300   0.000000
     5  C    2.794299   2.423257   2.401382   1.420924   0.000000
     6  C    2.440039   1.418960   2.789307   2.431694   1.365754
     7  C    1.410018   2.435166   2.476035   3.733350   4.203964
     8  H    2.147918   3.423095   1.082661   2.137593   3.394391
     9  H    3.877704   3.404466   3.375929   2.161332   1.083452
    10  H    3.420165   2.160581   3.872226   3.413425   2.127648
    11  C    3.843952   4.349009   2.538650   1.512649   2.521188
    12  C    4.380914   5.233819   2.979063   2.570312   3.837044
    13  C    4.668926   5.111689   3.454380   2.542480   3.276791
    14  H    4.527991   4.791692   3.346796   2.125361   2.633007
    15  H    4.313278   5.176092   3.035597   2.799471   3.991554
    16  H    4.242481   5.303458   2.876968   2.898940   4.292091
    17  H    5.453293   6.249899   4.045715   3.490344   4.630855
    18  O    5.854510   6.239419   4.620978   3.635195   4.224086
    19  O    4.341713   4.809098   3.347313   2.801607   3.470196
    20  H    3.407637   3.929117   2.526736   2.226950   2.946119
    21  C    2.427074   2.803774   3.731042   4.863984   5.039583
    22  C    2.814470   2.420403   4.230805   5.073357   4.843597
    23  C    2.446993   1.406048   3.736333   4.244100   3.718380
    24  O    4.172570   3.632614   5.588306   6.386199   6.027496
    25  C    5.050528   4.811911   6.444312   7.414865   7.235103
    26  H    2.154162   3.416460   2.703373   4.072739   4.837380
    27  H    3.399621   3.883267   4.597122   5.817005   6.090720
    28  H    3.432006   2.163558   4.613977   4.892166   4.083128
    29  H    5.104487   5.046556   6.445308   7.492288   7.433292
    30  H    5.105403   5.047113   6.445878   7.492272   7.433282
    31  H    6.024206   5.628390   7.433141   8.333011   8.033362
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721659   0.000000
     8  H    3.871766   2.687141   0.000000
     9  H    2.123534   5.287415   4.283817   0.000000
    10  H    1.082939   4.590995   4.954690   2.449076   0.000000
    11  C    3.791302   5.014405   2.769213   2.689553   4.648562
    12  C    4.974607   5.259254   2.646280   4.135730   5.921321
    13  C    4.496873   5.791053   3.616200   3.252375   5.253230
    14  H    3.977165   5.783906   3.704992   2.412125   4.664040
    15  H    5.007188   5.113063   2.703210   4.360999   5.948196
    16  H    5.285950   4.901348   2.218456   4.763633   6.304071
    17  H    5.865086   6.340350   3.701518   4.724782   6.748199
    18  O    5.498819   6.983983   4.724642   3.947709   6.150326
    19  O    4.407082   5.330471   3.516191   3.679636   5.175715
    20  H    3.708160   4.378724   2.797738   3.419724   4.560301
    21  C    4.222179   1.372258   4.054618   6.098404   4.856943
    22  C    3.730744   2.412591   4.845573   5.808968   4.076693
    23  C    2.475522   2.787786   4.591857   4.596118   2.704971
    24  O    4.804149   3.675630   6.195001   6.924883   4.917228
    25  C    6.087938   4.196282   6.869884   8.187891   6.293683
    26  H    4.590307   1.083205   2.460299   5.903710   5.535654
    27  H    5.301577   2.123058   4.735292   7.157431   5.922336
    28  H    2.724141   3.869803   5.545727   4.780190   2.503309
    29  H    6.366682   4.124207   6.773668   8.417223   6.665727
    30  H    6.366327   4.124461   6.771295   8.417308   6.664271
    31  H    6.811311   5.253735   7.911377   8.933051   6.873674
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535218   0.000000
    13  C    1.537388   2.480758   0.000000
    14  H    1.091310   2.138525   2.095950   0.000000
    15  H    2.169076   1.090129   3.442193   2.509995   0.000000
    16  H    2.189064   1.090819   2.747784   3.061136   1.768213
    17  H    2.159599   1.088700   2.685276   2.424370   1.773151
    18  O    2.407161   3.082180   1.198453   2.549376   4.063361
    19  O    2.456708   3.324268   1.350345   3.237106   4.261903
    20  H    2.405690   3.294539   1.907304   3.307102   4.071687
    21  C    6.245810   6.595454   6.991560   6.944238   6.410179
    22  C    6.563216   7.182882   7.288863   7.114372   7.012750
    23  C    5.754972   6.601292   6.470094   6.174232   6.484796
    24  O    7.887297   8.537062   8.584027   8.396278   8.343461
    25  C    8.879500   9.362968   9.576424   9.472342   9.135619
    26  H    5.127603   5.071602   5.878516   5.991131   4.919571
    27  H    7.135077   7.338472   7.861402   7.881082   7.123779
    28  H    6.372614   7.358635   7.036683   6.660094   7.252923
    29  H    8.909281   9.351816   9.474864   9.601161   9.218755
    30  H    8.920273   9.252487   9.748843   9.505675   8.915253
    31  H    9.819126  10.367962  10.500193  10.365395  10.135366
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760821   0.000000
    18  O    3.456717   2.842935   0.000000
    19  O    3.189042   3.730611   2.216758   0.000000
    20  H    3.081365   3.956783   3.000968   0.970716   0.000000
    21  C    6.270913   7.680561   8.189140   6.451994   5.482416
    22  C    7.023931   8.257357   8.462471   6.769798   5.815870
    23  C    6.612706   7.633783   7.595621   6.055012   5.155017
    24  O    8.380767   9.610470   9.746691   8.021933   7.077588
    25  C    9.087106  10.449314  10.762360   8.953393   7.991646
    26  H    4.539542   6.118344   7.041289   5.427389   4.531588
    27  H    6.912697   8.414816   9.058001   7.274282   6.312983
    28  H    7.466293   8.350241   8.100915   6.652136   5.813370
    29  H    8.961932  10.428417  10.662035   8.729501   7.778018
    30  H    8.976349  10.340081  10.941118   9.225149   8.254729
    31  H   10.126653  11.452195  11.674883   9.866916   8.915286
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413863   0.000000
    23  C    2.417488   1.377921   0.000000
    24  O    2.442267   1.359367   2.328883   0.000000
    25  C    2.824713   2.392398   3.633818   1.418239   0.000000
    26  H    2.127031   3.394805   3.870981   4.562931   4.845060
    27  H    1.079498   2.171372   3.396304   2.718836   2.519579
    28  H    3.394061   2.124731   1.082160   2.525100   3.941349
    29  H    2.814994   2.723644   4.007057   2.084075   1.093611
    30  H    2.815150   2.723870   4.007209   2.084049   1.093624
    31  H    3.887364   3.259887   4.336967   2.008896   1.087064
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438679   0.000000
    28  H    4.952963   4.285076   0.000000
    29  H    4.640474   2.319136   4.440915   0.000000
    30  H    4.640404   2.318751   4.440724   1.785262   0.000000
    31  H    5.929973   3.599102   4.405075   1.778145   1.778186
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.58D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4435720           0.2033668           0.1943488
 Leave Link  202 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2048311163 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0645686027 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1402625136 Hartrees.
 Leave Link  301 at Thu Aug 12 20:42:53 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.08D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:42:54 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer07_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:42:55 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 910000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.152949927561    
 DIIS: error= 2.88D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.152949927561     IErMin= 1 ErrMin= 2.88D-03
 ErrMax= 2.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-02 BMatP= 1.35D-02
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.88D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.162 Goal=   None    Shift=    0.000
 GapD=    0.162 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.56D-02 MaxDP=1.11D+00              OVMax= 1.59D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-02    CP:  1.25D+00
 E= -767.164490822744     Delta-E=       -0.011540895183 Rises=F Damp=F
 DIIS: error= 7.01D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.164490822744     IErMin= 2 ErrMin= 7.01D-04
 ErrMax= 7.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.65D-04 BMatP= 1.35D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.01D-03
 Coeff-Com:  0.604D-01 0.940D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.600D-01 0.940D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=7.85D-04 MaxDP=7.03D-02 DE=-1.15D-02 OVMax= 8.76D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.08D-04    CP:  1.26D+00  1.04D+00
 E= -767.164064459628     Delta-E=        0.000426363115 Rises=F Damp=F
 DIIS: error= 1.10D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.164490822744     IErMin= 2 ErrMin= 7.01D-04
 ErrMax= 1.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-03 BMatP= 6.65D-04
 IDIUse=3 WtCom= 2.31D-01 WtEn= 7.69D-01
 Coeff-Com: -0.150D-01 0.589D+00 0.426D+00
 Coeff-En:   0.000D+00 0.627D+00 0.373D+00
 Coeff:     -0.347D-02 0.618D+00 0.385D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=1.40D-04 MaxDP=5.52D-03 DE= 4.26D-04 OVMax= 5.77D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  1.26D+00  1.04D+00  7.48D-01
 E= -767.165003299535     Delta-E=       -0.000938839906 Rises=F Damp=F
 DIIS: error= 1.16D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.165003299535     IErMin= 4 ErrMin= 1.16D-04
 ErrMax= 1.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-05 BMatP= 6.65D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.16D-03
 Coeff-Com: -0.104D-01 0.296D+00 0.199D+00 0.515D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.104D-01 0.296D+00 0.199D+00 0.515D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=6.05D-05 MaxDP=2.74D-03 DE=-9.39D-04 OVMax= 1.39D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.30D-05    CP:  1.26D+00  1.04D+00  6.95D-01  8.16D-01
 E= -767.165022055984     Delta-E=       -0.000018756449 Rises=F Damp=F
 DIIS: error= 2.75D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.165022055984     IErMin= 5 ErrMin= 2.75D-05
 ErrMax= 2.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-06 BMatP= 2.03D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.435D-02 0.103D+00 0.693D-01 0.274D+00 0.558D+00
 Coeff:     -0.435D-02 0.103D+00 0.693D-01 0.274D+00 0.558D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=1.70D-05 MaxDP=1.05D-03 DE=-1.88D-05 OVMax= 6.16D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.37D-05    CP:  1.26D+00  1.04D+00  6.97D-01  8.35D-01  8.19D-01
 E= -767.165023494587     Delta-E=       -0.000001438603 Rises=F Damp=F
 DIIS: error= 1.92D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.165023494587     IErMin= 6 ErrMin= 1.92D-05
 ErrMax= 1.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.20D-07 BMatP= 2.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.803D-03 0.908D-02 0.675D-02 0.762D-01 0.382D+00 0.527D+00
 Coeff:     -0.803D-03 0.908D-02 0.675D-02 0.762D-01 0.382D+00 0.527D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=7.25D-06 MaxDP=3.35D-04 DE=-1.44D-06 OVMax= 2.57D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.71D-06    CP:  1.26D+00  1.04D+00  7.03D-01  8.31D-01  8.22D-01
                    CP:  7.13D-01
 E= -767.165024107535     Delta-E=       -0.000000612948 Rises=F Damp=F
 DIIS: error= 3.19D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.165024107535     IErMin= 7 ErrMin= 3.19D-06
 ErrMax= 3.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-08 BMatP= 7.20D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-03-0.109D-02-0.454D-03 0.220D-01 0.157D+00 0.259D+00
 Coeff-Com:  0.564D+00
 Coeff:     -0.150D-03-0.109D-02-0.454D-03 0.220D-01 0.157D+00 0.259D+00
 Coeff:      0.564D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=5.30D-05 DE=-6.13D-07 OVMax= 5.46D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.10D-06    CP:  1.26D+00  1.04D+00  7.04D-01  8.30D-01  8.35D-01
                    CP:  6.96D-01  8.14D-01
 E= -767.165024122964     Delta-E=       -0.000000015429 Rises=F Damp=F
 DIIS: error= 1.64D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.165024122964     IErMin= 8 ErrMin= 1.64D-06
 ErrMax= 1.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-09 BMatP= 2.32D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.605D-05-0.169D-02-0.109D-02 0.335D-02 0.441D-01 0.871D-01
 Coeff-Com:  0.353D+00 0.515D+00
 Coeff:      0.605D-05-0.169D-02-0.109D-02 0.335D-02 0.441D-01 0.871D-01
 Coeff:      0.353D+00 0.515D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=7.42D-07 MaxDP=3.05D-05 DE=-1.54D-08 OVMax= 2.64D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.10D-07    CP:  1.26D+00  1.04D+00  7.03D-01  8.33D-01  8.35D-01
                    CP:  7.06D-01  7.84D-01  6.98D-01
 E= -767.165024127352     Delta-E=       -0.000000004389 Rises=F Damp=F
 DIIS: error= 3.92D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.165024127352     IErMin= 9 ErrMin= 3.92D-07
 ErrMax= 3.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-10 BMatP= 4.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-04-0.847D-03-0.565D-03 0.268D-04 0.120D-01 0.267D-01
 Coeff-Com:  0.149D+00 0.275D+00 0.539D+00
 Coeff:      0.157D-04-0.847D-03-0.565D-03 0.268D-04 0.120D-01 0.267D-01
 Coeff:      0.149D+00 0.275D+00 0.539D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=2.45D-07 MaxDP=8.77D-06 DE=-4.39D-09 OVMax= 7.57D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.43D-07    CP:  1.26D+00  1.04D+00  7.03D-01  8.33D-01  8.35D-01
                    CP:  7.03D-01  7.99D-01  6.99D-01  7.33D-01
 E= -767.165024127669     Delta-E=       -0.000000000317 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.165024127669     IErMin=10 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-11 BMatP= 2.86D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.812D-05-0.242D-03-0.162D-03-0.548D-03 0.417D-03 0.236D-02
 Coeff-Com:  0.363D-01 0.837D-01 0.302D+00 0.576D+00
 Coeff:      0.812D-05-0.242D-03-0.162D-03-0.548D-03 0.417D-03 0.236D-02
 Coeff:      0.363D-01 0.837D-01 0.302D+00 0.576D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=6.97D-08 MaxDP=2.74D-06 DE=-3.17D-10 OVMax= 2.27D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.64D-08    CP:  1.26D+00  1.04D+00  7.03D-01  8.33D-01  8.35D-01
                    CP:  7.04D-01  8.00D-01  6.91D-01  7.62D-01  7.46D-01
 E= -767.165024127678     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 2.49D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.165024127678     IErMin=11 ErrMin= 2.49D-08
 ErrMax= 2.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-12 BMatP= 3.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.263D-05-0.517D-04-0.341D-04-0.280D-03-0.689D-03-0.954D-03
 Coeff-Com:  0.699D-02 0.205D-01 0.111D+00 0.284D+00 0.580D+00
 Coeff:      0.263D-05-0.517D-04-0.341D-04-0.280D-03-0.689D-03-0.954D-03
 Coeff:      0.699D-02 0.205D-01 0.111D+00 0.284D+00 0.580D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=1.99D-08 MaxDP=9.38D-07 DE=-9.32D-12 OVMax= 4.91D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.33D-08    CP:  1.26D+00  1.04D+00  7.03D-01  8.33D-01  8.35D-01
                    CP:  7.04D-01  8.00D-01  6.97D-01  7.63D-01  7.54D-01
                    CP:  8.42D-01
 E= -767.165024127690     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 1.11D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.165024127690     IErMin=12 ErrMin= 1.11D-08
 ErrMax= 1.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-13 BMatP= 2.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.475D-06 0.538D-06 0.871D-06-0.842D-04-0.392D-03-0.779D-03
 Coeff-Com: -0.639D-03 0.245D-03 0.209D-01 0.750D-01 0.310D+00 0.596D+00
 Coeff:      0.475D-06 0.538D-06 0.871D-06-0.842D-04-0.392D-03-0.779D-03
 Coeff:     -0.639D-03 0.245D-03 0.209D-01 0.750D-01 0.310D+00 0.596D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=6.36D-09 MaxDP=2.46D-07 DE=-1.18D-11 OVMax= 1.73D-07

 SCF Done:  E(RB3LYP) =  -767.165024128     A.U. after   12 cycles
            NFock= 12  Conv=0.64D-08     -V/T= 2.0107
 KE= 7.590713613117D+02 PE=-4.050842964817D+03 EE= 1.390466316864D+03
 Leave Link  502 at Thu Aug 12 20:46:57 2021, MaxMem=  5368709120 cpu:            1930.4 elap:             242.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.56729803D+02

 Leave Link  801 at Thu Aug 12 20:46:57 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 6.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 4.60D-01 1.52D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 1.01D-01 1.22D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 2.42D-02 4.02D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 7.17D-03 2.11D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 3.49D-04 2.23D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.06D-05 3.14D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 3.56D-07 6.72D-05.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 8.56D-09 1.13D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.67D-10 1.43D-06.
     10 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 3.57D-12 2.24D-07.
      7 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 5.80D-14 3.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.56D-13
 Solved reduced A of dimension   127 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.317891D+03
      2  0.148220D+02  0.174301D+03
      3 -0.163469D+02 -0.564060D+01  0.117951D+03
 Isotropic polarizability for W=    0.088559      203.38 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.347582D+03 -0.453246D+02  0.915161D+02
      2   0.162714D+03  0.240020D+02 -0.485062D+02
      3   0.184868D+03  0.213226D+02 -0.430100D+02
      4  -0.573757D+02 -0.117151D+03  0.408818D+02
      5   0.265509D+02  0.449305D+02  0.422248D+02
      6   0.124828D+02 -0.703789D+02 -0.349003D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.111798D+02 -0.294250D+02  0.127613D+02
      2   0.839932D+02  0.173295D+02  0.169551D+02
      3   0.459324D+02  0.534102D+02 -0.211232D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.404879D+01 -0.218727D+02  0.562229D+02
      2   0.649652D+02  0.283990D+02 -0.142643D+03
      3  -0.120511D+02  0.279865D+03 -0.324477D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.884645D+00 -0.825550D+01 -0.915195D+01
      2  -0.825550D+01  0.212803D+01 -0.438637D+00
      3  -0.915195D+01 -0.438637D+00  0.614270D+01
 OR G Eigenvalues:   -11.1548     4.2238    14.3172  Iso=    -2.4620
 Eigenvectors:
   (1)   0.765537   0.489578   0.417453
   (2)  -0.164767   0.776373  -0.608356
   (3)  -0.621937   0.396937   0.675008
 w=    0.088559 a.u., Optical Rotation Beta=     -2.4620 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -542.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.98D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.80D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.76D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 1.14D-01 1.41D-01.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 4.41D-03 1.84D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 2.02D-04 1.93D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 5.12D-06 2.71D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 7.07D-08 2.97D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 5.87D-10 2.54D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 3.28D-12 2.06D-07.
      6 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 9.54D-15 6.97D-09.
      4 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 6.93D-15 4.92D-09.
      4 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 1.99D-13 3.15D-08.
      2 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 3.06D-14 1.51D-08.
      1 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 3.02D-15 4.00D-09.
      1 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 2.22D-15 3.63D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.28D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.28D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.19D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.317891D+03  0.148220D+02 -0.163469D+02
      2   0.148220D+02  0.174301D+03 -0.564060D+01
      3  -0.163469D+02 -0.564060D+01  0.117951D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.111798D+02 -0.294250D+02  0.127613D+02
      2   0.839932D+02  0.173295D+02  0.169551D+02
      3   0.459324D+02  0.534102D+02 -0.211232D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.347582D+03 -0.453246D+02  0.915161D+02
      2   0.162714D+03  0.240020D+02 -0.485062D+02
      3   0.184868D+03  0.213226D+02 -0.430100D+02
      4  -0.573757D+02 -0.117151D+03  0.408818D+02
      5   0.265509D+02  0.449305D+02  0.422248D+02
      6   0.124828D+02 -0.703789D+02 -0.349003D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.443619D+02  0.952078D+01 -0.378065D+01 -0.441664D+02 -0.513218D+01
      2   0.952078D+01  0.495903D+01 -0.171146D+01 -0.513218D+01 -0.540454D+01
      3  -0.378065D+01 -0.171146D+01 -0.592863D-01  0.464404D+01  0.944147D+00
                 6             7             8             9            10 
      1   0.464404D+01  0.642382D+00 -0.476330D+00  0.126627D+01 -0.364536D+02
      2   0.944147D+00 -0.476330D+00 -0.159885D+00 -0.830396D+00 -0.877297D+01
      3  -0.441439D+00  0.126627D+01 -0.830396D+00  0.179802D+00  0.306435D+01
                11            12            13            14            15 
      1  -0.877297D+01  0.306435D+01  0.483347D+02  0.610382D+01 -0.528203D+01
      2  -0.122294D+01  0.639013D+00  0.610382D+01  0.709850D+01 -0.155842D+01
      3   0.639013D+00 -0.457799D+00 -0.528203D+01 -0.155842D+01  0.422026D+00
                16            17            18            19            20 
      1  -0.445972D+00  0.460035D+00 -0.555428D+00 -0.535662D+02 -0.108650D+02
      2   0.460035D+00 -0.383901D+00  0.957081D+00 -0.108650D+02 -0.986595D+01
      3  -0.555428D+00  0.957081D+00 -0.316443D+00  0.361860D+01  0.170319D+01
                21            22            23            24            25 
      1   0.361860D+01 -0.223709D+02 -0.257349D+01  0.133409D+00  0.919118D+01
      2   0.170319D+01 -0.257349D+01 -0.620674D+01  0.583459D+00  0.366028D+00
      3  -0.744468D+00  0.133409D+00  0.583459D+00 -0.226760D+01  0.568343D+00
                26            27            28            29            30 
      1   0.366028D+00  0.568343D+00  0.612033D+02  0.587888D+01 -0.600204D+00
      2   0.125121D+01 -0.403830D+01  0.587888D+01  0.499337D+01 -0.738352D+00
      3  -0.403830D+01  0.617935D+00 -0.600204D+00 -0.738352D+00  0.222010D+01
                31            32            33            34            35 
      1   0.702060D+01  0.325336D+01  0.575195D-01 -0.514860D+01 -0.385600D+00
      2   0.325336D+01  0.164259D+02 -0.289584D+01 -0.385600D+00 -0.300791D+01
      3   0.575195D-01 -0.289584D+01  0.515829D+00  0.661613D+01  0.127676D+01
                36            37            38            39            40 
      1   0.661613D+01  0.536600D+01 -0.163272D+01 -0.154104D+00  0.119293D+02
      2   0.127676D+01 -0.163272D+01  0.138770D+02 -0.147238D+01  0.105103D+01
      3  -0.155412D+01 -0.154104D+00 -0.147238D+01  0.184732D+01  0.444380D+00
                41            42            43            44            45 
      1   0.105103D+01  0.444380D+00 -0.114156D+01  0.121466D+01  0.475519D+01
      2  -0.891019D+01  0.162845D+01  0.121466D+01 -0.617956D+00  0.221056D+01
      3   0.162845D+01  0.737970D+00  0.475519D+01  0.221056D+01 -0.249173D+01
                46            47            48            49            50 
      1  -0.925035D+01  0.254377D+01  0.140555D+01  0.227680D+01  0.367500D+01
      2   0.254377D+01 -0.973028D+01  0.200947D+01  0.367500D+01  0.607625D+00
      3   0.140555D+01  0.200947D+01 -0.170042D+01 -0.483255D+00  0.255699D+00
                51            52            53            54            55 
      1  -0.483255D+00  0.681658D+00 -0.134533D+00 -0.123999D+01  0.103975D+01
      2   0.255699D+00 -0.134533D+00  0.224824D+01  0.431930D+01 -0.319818D+01
      3   0.141910D+01 -0.123999D+01  0.431930D+01 -0.905966D+00 -0.906738D-01
                56            57            58            59            60 
      1  -0.319818D+01 -0.906738D-01 -0.381176D+01 -0.444929D+01  0.406702D+00
      2   0.550711D+01 -0.335149D+00 -0.444929D+01 -0.222943D+01  0.909045D-01
      3  -0.335149D+00  0.164840D+01  0.406702D+00  0.909045D-01 -0.135803D+01
                61            62            63            64            65 
      1   0.145197D+00  0.363340D+00  0.133712D+00  0.103593D+01 -0.216520D+01
      2   0.363340D+00 -0.142572D+01 -0.419145D+01 -0.216520D+01  0.961090D+00
      3   0.133712D+00 -0.419145D+01  0.527177D+00 -0.173521D+00  0.250746D+00
                66            67            68            69            70 
      1  -0.173521D+00 -0.285699D+01  0.299581D+01  0.114671D+00 -0.525073D+00
      2   0.250746D+00  0.299581D+01 -0.656117D+01 -0.682702D-01  0.163963D+00
      3   0.591787D-01  0.114671D+00 -0.682702D-01 -0.648668D+00 -0.120364D+00
                71            72            73            74            75 
      1   0.163963D+00 -0.120364D+00  0.623827D+01  0.348625D+01 -0.112659D+01
      2   0.411034D+00 -0.610521D-01  0.348625D+01  0.341348D+01 -0.790586D+00
      3  -0.610521D-01 -0.845079D-02 -0.112659D+01 -0.790586D+00  0.676925D+00
                76            77            78            79            80 
      1   0.416019D+01  0.453630D+01 -0.101692D+01 -0.137658D+01 -0.924060D+00
      2   0.453630D+01  0.543044D+01 -0.113191D+01 -0.924060D+00 -0.890980D+00
      3  -0.101692D+01 -0.113191D+01  0.928617D+00 -0.169954D+00  0.576543D+00
                81            82            83            84            85 
      1  -0.169954D+00 -0.840815D+00  0.160962D+01 -0.108185D+00  0.667598D+00
      2   0.576543D+00  0.160962D+01 -0.235295D+01  0.124223D+00 -0.134630D+01
      3  -0.196752D+00 -0.108185D+00  0.124223D+00 -0.167697D+00  0.219969D+00
                86            87            88            89            90 
      1  -0.134630D+01  0.219969D+00 -0.107296D+00 -0.107672D+00  0.994092D-01
      2   0.111481D+02 -0.114010D+01 -0.107672D+00 -0.999953D+00  0.315190D+00
      3  -0.114010D+01  0.993592D+00  0.994092D-01  0.315190D+00 -0.162826D+00
                91            92            93            94            95 
      1  -0.298178D+02 -0.344021D+01 -0.210565D+01 -0.803025D+00 -0.212544D+01
      2  -0.344021D+01 -0.103840D+01 -0.315715D+00 -0.212544D+01  0.117046D+01
      3  -0.210565D+01 -0.315715D+00 -0.321656D+01  0.588812D+00  0.331747D+01
                96            97            98            99           100 
      1   0.588812D+00 -0.112364D+02 -0.916229D+00 -0.670718D+01 -0.707771D+01
      2   0.331747D+01 -0.916229D+00  0.214217D+01 -0.186259D+01  0.167860D+01
      3  -0.575389D+00 -0.670718D+01 -0.186259D+01 -0.512076D+00  0.191654D+01
               101           102           103           104           105 
      1   0.167860D+01  0.191654D+01 -0.224050D+01  0.222872D+01  0.640174D+00
      2   0.172004D+01  0.827184D+00  0.222872D+01 -0.142807D+01 -0.333385D+01
      3   0.827184D+00  0.362947D+01  0.640174D+00 -0.333385D+01  0.979920D+00
               106           107           108           109           110 
      1   0.253384D+01  0.875674D+00  0.233243D+01 -0.437544D+01 -0.138049D+01
      2   0.875674D+00 -0.242526D+01  0.262925D+01 -0.138049D+01 -0.660092D+00
      3   0.233243D+01  0.262925D+01  0.343583D+01 -0.615289D+00 -0.523669D+00
               111           112           113           114           115 
      1  -0.615289D+00 -0.218773D+01  0.786367D+00  0.182144D-02  0.183916D+02
      2  -0.523669D+00  0.786367D+00 -0.268373D+00 -0.210851D+00  0.847734D+00
      3   0.793968D+00  0.182144D-02 -0.210851D+00  0.425872D+00  0.680686D+01
               116           117           118           119           120 
      1   0.847734D+00  0.680686D+01  0.447773D+01  0.189670D+01 -0.166814D+01
      2   0.406621D+00  0.447570D+00  0.189670D+01  0.101005D+01 -0.557330D+00
      3   0.447570D+00  0.305249D+00 -0.166814D+01 -0.557330D+00  0.171700D+01
               121           122           123           124           125 
      1   0.656292D+01  0.179830D+01 -0.131534D+01 -0.221281D+01 -0.538404D+00
      2   0.179830D+01  0.255958D+01 -0.202990D+01 -0.538404D+00 -0.191627D+01
      3  -0.131534D+01 -0.202990D+01  0.185605D+01  0.275786D+01  0.169153D+01
               126           127           128           129           130 
      1   0.275786D+01 -0.824543D+00 -0.235874D+00 -0.120624D+01  0.713589D+00
      2   0.169153D+01 -0.235874D+00 -0.110052D+01 -0.102695D+01 -0.294612D+00
      3  -0.352162D+01 -0.120624D+01 -0.102695D+01 -0.265391D+01 -0.799174D-01
               131           132           133           134           135 
      1  -0.294612D+00 -0.799174D-01 -0.155557D+01  0.356100D+00 -0.303486D+00
      2  -0.108831D+01 -0.990994D+00  0.356100D+00 -0.187002D+01 -0.260583D+01
      3  -0.990994D+00 -0.130091D+01 -0.303486D+00 -0.260583D+01 -0.746993D+01
               136           137           138           139           140 
      1  -0.129235D+00 -0.399893D+00  0.432236D+00 -0.121254D+01  0.419800D+00
      2  -0.399893D+00 -0.986401D+00  0.266189D-01  0.419800D+00 -0.436749D+01
      3   0.432236D+00  0.266189D-01 -0.783467D+00  0.496149D-01  0.151342D+01
               141           142           143           144           145 
      1   0.496149D-01  0.127786D+01 -0.766001D+00 -0.297616D+00  0.127732D+02
      2   0.151342D+01 -0.766001D+00  0.289618D+01 -0.152090D+01 -0.325991D+01
      3  -0.158715D+01 -0.297616D+00 -0.152090D+01  0.172771D+01 -0.231429D+01
               146           147           148           149           150 
      1  -0.325991D+01 -0.231429D+01 -0.182337D+01  0.132297D+01  0.112463D+00
      2   0.188574D+01  0.781108D+00  0.132297D+01 -0.511495D+00  0.824600D-02
      3   0.781108D+00  0.149104D+01  0.112463D+00  0.824600D-02 -0.971633D-01
               151           152           153           154           155 
      1  -0.137646D+01  0.203135D+00  0.129396D+01  0.199942D+02  0.281038D+01
      2   0.203135D+00  0.871665D-01 -0.570598D+00  0.281038D+01  0.232945D+01
      3   0.129396D+01 -0.570598D+00 -0.993562D+00  0.164160D+01  0.774477D+00
               156           157           158           159           160 
      1   0.164160D+01  0.404556D+01  0.438245D+01  0.248652D+00  0.246917D+01
      2   0.774477D+00  0.438245D+01  0.206636D+01  0.511509D+00  0.589599D+00
      3   0.320659D+01  0.248652D+00  0.511509D+00  0.398318D+00  0.278704D+01
               161           162           163           164           165 
      1   0.589599D+00  0.278704D+01  0.175008D+02  0.607133D+00  0.572148D+01
      2  -0.108970D+00  0.642172D+00  0.607133D+00 -0.464564D+00 -0.302966D+00
      3   0.642172D+00  0.581426D+00  0.572148D+01 -0.302966D+00  0.137085D+01
               166           167           168           169           170 
      1   0.309464D+01 -0.301089D+00  0.567348D+00 -0.371383D+00 -0.678418D+00
      2  -0.301089D+00 -0.293633D+00  0.125507D+01 -0.678418D+00  0.538415D+00
      3   0.567348D+00  0.125507D+01 -0.107414D-02  0.135911D+00  0.146967D+00
               171           172           173           174           175 
      1   0.135911D+00 -0.128885D+02  0.835316D-01 -0.329295D+01 -0.151529D+01
      2   0.146967D+00  0.835316D-01 -0.609455D-01  0.238528D+00  0.420677D+00
      3   0.687720D+01 -0.329295D+01  0.238528D+00 -0.350095D+01 -0.502762D+00
               176           177           178           179           180 
      1   0.420677D+00 -0.502762D+00 -0.838850D+01  0.642369D-01 -0.300700D+01
      2  -0.164603D+00  0.723370D+00  0.642369D-01  0.113620D+01 -0.122961D+00
      3   0.723370D+00 -0.638169D+00 -0.300700D+01 -0.122961D+00 -0.400744D-01
               181           182           183           184           185 
      1  -0.464421D+01  0.646543D+00 -0.209852D+00 -0.162774D+02 -0.228985D+01
      2   0.646543D+00 -0.104645D+02  0.844147D-01 -0.228985D+01  0.466618D+01
      3  -0.209852D+00  0.844147D-01 -0.173498D+01  0.141012D+01 -0.341841D+00
               186           187           188           189           190 
      1   0.141012D+01  0.111232D+01 -0.609488D+00 -0.435592D+01 -0.374924D+02
      2  -0.341841D+00 -0.609488D+00  0.164210D+00 -0.274279D+01 -0.595458D+01
      3  -0.118746D+01 -0.435592D+01 -0.274279D+01  0.185824D+01  0.305189D+01
               191           192           193           194           195 
      1  -0.595458D+01  0.305189D+01 -0.123349D+01 -0.347292D+01 -0.763182D+00
      2  -0.939784D+01  0.115361D+01 -0.347292D+01 -0.121817D+02  0.973355D+00
      3   0.115361D+01 -0.282992D+01 -0.763182D+00  0.973355D+00  0.394328D+00
               196           197           198           199           200 
      1   0.283240D+01  0.218851D+00 -0.743850D+01  0.396482D+02  0.108308D+02
      2   0.218851D+00  0.228789D+01 -0.787887D+00  0.108308D+02  0.771712D+01
      3  -0.743850D+01 -0.787887D+00  0.177158D+01 -0.418593D+01 -0.834241D+00
               201           202           203           204           205 
      1  -0.418593D+01  0.172825D+02  0.403641D+01 -0.191178D+01 -0.667519D+01
      2  -0.834241D+00  0.403641D+01  0.586206D+01 -0.189055D+00 -0.117445D+01
      3   0.599109D+00 -0.191178D+01 -0.189055D+00  0.202064D+01  0.177300D+00
               206           207           208           209           210 
      1  -0.117445D+01  0.177300D+00  0.679638D+01  0.403800D+01 -0.150193D+01
      2  -0.573035D+00  0.477227D+01  0.403800D+01  0.375746D+01 -0.813872D+00
      3   0.477227D+01 -0.118580D+01 -0.150193D+01 -0.813872D+00 -0.186456D+00
               211           212           213           214           215 
      1  -0.301227D+01 -0.379401D+01  0.619845D+00 -0.562110D+00 -0.815749D-02
      2  -0.379401D+01  0.118912D+01  0.274071D+00 -0.815749D-02 -0.417057D+00
      3   0.619845D+00  0.274071D+00 -0.105670D+01 -0.534105D-01  0.819470D+00
               216           217           218           219           220 
      1  -0.534105D-01 -0.153013D+01 -0.463190D+01  0.105718D+01 -0.207844D+01
      2   0.819470D+00 -0.463190D+01 -0.103011D+01  0.125383D+01  0.337340D+01
      3   0.216589D-01  0.105718D+01  0.125383D+01  0.140677D-01  0.108026D+01
               221           222           223           224           225 
      1   0.337340D+01  0.108026D+01  0.111315D+01  0.107907D+01  0.251141D+01
      2   0.165131D+01  0.666091D+00  0.107907D+01  0.951174D+00  0.441695D+01
      3   0.666091D+00  0.592563D+01  0.251141D+01  0.441695D+01 -0.218747D+01
               226           227           228           229           230 
      1   0.378655D+00 -0.151891D+01  0.112123D+00 -0.364950D+00  0.695333D+00
      2  -0.151891D+01  0.211068D+01 -0.225298D-01  0.695333D+00 -0.100577D+02
      3   0.112123D+00 -0.225298D-01  0.138357D+00 -0.115647D+00  0.738022D+00
               231           232           233           234           235 
      1  -0.115647D+00  0.182468D-01  0.741328D-01 -0.482362D-01 -0.690793D+01
      2   0.738022D+00  0.741328D-01  0.803301D+00 -0.225230D+00 -0.326030D+01
      3  -0.870923D+00 -0.482362D-01 -0.225230D+00  0.125493D+00  0.109776D+01
               236           237           238           239           240 
      1  -0.326030D+01  0.109776D+01 -0.487355D+01 -0.445946D+01  0.946900D+00
      2  -0.273849D+01  0.576000D+00 -0.445946D+01 -0.487753D+01  0.903089D+00
      3   0.576000D+00 -0.457538D+00  0.946900D+00  0.903089D+00 -0.755764D+00
               241           242           243           244           245 
      1   0.147438D+01  0.888937D+00  0.206070D+00 -0.135483D+01  0.259009D+01
      2   0.888937D+00  0.816107D+00 -0.292572D+00  0.259009D+01 -0.220030D+01
      3   0.206070D+00 -0.292572D+00  0.510538D-01 -0.203480D+00 -0.428110D-01
               246           247           248           249           250 
      1  -0.203480D+00  0.326057D+01 -0.383030D+01  0.183830D+00 -0.276981D+00
      2  -0.428110D-01 -0.383030D+01  0.855453D+01 -0.452842D+00  0.920946D-01
      3  -0.272071D+00  0.183830D+00 -0.452842D+00  0.921426D+00 -0.233549D+00
               251           252           253           254           255 
      1   0.920946D-01 -0.233549D+00  0.108524D+01  0.197770D+00  0.732935D+00
      2  -0.623742D+00  0.191370D+00  0.197770D+00  0.477194D+00 -0.984685D-01
      3   0.191370D+00 -0.684232D-01  0.732935D+00 -0.984685D-01  0.508027D+00
               256           257           258           259           260 
      1  -0.165984D+01 -0.174385D+01  0.131345D+01  0.436703D+01  0.139296D+01
      2  -0.174385D+01 -0.214528D+01  0.198679D+01  0.139296D+01  0.182426D+01
      3   0.131345D+01  0.198679D+01 -0.302017D+01 -0.355629D+01 -0.290734D+01
               261           262           263           264           265 
      1  -0.355629D+01 -0.661723D+00 -0.556434D+00 -0.147415D+01 -0.346636D+01
      2  -0.290734D+01 -0.556434D+00 -0.153842D+00 -0.545748D+00 -0.297757D+01
      3   0.654614D+01 -0.147415D+01 -0.545748D+00 -0.578107D-01 -0.168400D+01
               266           267           268           269           270 
      1  -0.297757D+01 -0.168400D+01 -0.545807D+01 -0.224472D+01 -0.268758D+01
      2  -0.350034D+01 -0.212793D+01 -0.224472D+01 -0.248848D+01 -0.261350D+01
      3  -0.212793D+01 -0.253419D+01 -0.268758D+01 -0.261350D+01 -0.348181D+01
               271           272           273           274           275 
      1  -0.140842D+02  0.285373D+01  0.959597D+00  0.660581D+01 -0.228937D+01
      2   0.285373D+01 -0.125069D+01 -0.310189D+00 -0.228937D+01  0.176648D+01
      3   0.959597D+00 -0.310189D+00 -0.109706D+01 -0.629152D+00  0.986478D-01
               276           277           278           279 
      1  -0.629152D+00  0.608137D+00 -0.286494D+00 -0.167341D+01
      2   0.986478D-01 -0.286494D+00 -0.550302D-01 -0.395779D-01
      3   0.401494D+00 -0.167341D+01 -0.395779D-01  0.470567D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.190997D+01  0.457687D+01 -0.690759D+00  0.517692D+01  0.549632D+01
      2   0.181275D+02  0.674651D+01 -0.739026D+00 -0.143677D+02  0.672246D+00
      3   0.933131D-01  0.430998D+02 -0.387369D+01  0.337409D+02  0.248291D+02
                 6             7             8             9            10 
      1  -0.107992D+01  0.351860D+01  0.644035D+01 -0.781742D+00  0.264351D+01
      2   0.760796D+00 -0.199426D+02 -0.314828D+01  0.245364D+01 -0.206716D+02
      3  -0.475117D+01 -0.335202D+01 -0.881116D+01 -0.484828D-02  0.260422D+01
                11            12            13            14            15 
      1   0.683890D+01 -0.820485D+00  0.792046D+01  0.120486D+01 -0.346995D+00
      2   0.206637D+00 -0.244998D+01  0.207177D+02  0.359838D+01 -0.269161D+01
      3   0.467908D+02 -0.447154D+01  0.695570D+02  0.238804D+02 -0.919133D+01
                16            17            18            19            20 
      1   0.237410D+01  0.590751D+01 -0.914844D+00  0.266173D+01 -0.908077D+00
      2  -0.232805D+02 -0.190455D+01  0.286966D+01 -0.280200D+02 -0.903383D+01
      3  -0.584205D+01 -0.861237D+01  0.246892D+01  0.855215D+01 -0.352156D+02
                21            22            23            24            25 
      1  -0.382468D+00 -0.591577D+00  0.428940D+01 -0.257739D+01  0.627446D+01
      2   0.306866D+00 -0.155275D+02 -0.217617D+01 -0.160011D+01 -0.167687D+02
      3   0.166123D+01  0.255760D+01  0.348625D+01 -0.367122D+00  0.518186D+01
                26            27            28            29            30 
      1   0.115828D+01  0.285877D+01  0.435494D+01  0.966627D+00 -0.197235D+00
      2  -0.737133D+01  0.248371D+01  0.383910D+02  0.461571D+01  0.120729D+01
      3   0.542006D+01  0.265264D+01  0.154939D+02  0.117055D+02 -0.952812D+00
                31            32            33            34            35 
      1   0.658496D+01 -0.623907D+01  0.313902D+01 -0.146198D+01  0.165795D+02
      2   0.487593D+01  0.723629D+00  0.256939D+00 -0.163175D+02 -0.204882D+01
      3   0.336418D+02  0.188118D+01  0.333061D+01 -0.457538D+01 -0.179798D+01
                36            37            38            39            40 
      1  -0.288069D+01  0.230515D+01 -0.571340D+01 -0.340325D+01 -0.349987D+01
      2   0.869204D+00  0.789411D+00  0.626097D+00  0.204847D+01  0.704897D+01
      3  -0.275715D+00  0.313046D+02  0.140789D+01 -0.588943D+00 -0.351996D+01
                41            42            43            44            45 
      1   0.606256D+01 -0.155836D+01 -0.175936D+02  0.811158D+01  0.146893D+01
      2   0.260025D+01  0.108531D+01 -0.861008D+01  0.812578D+01  0.111538D+01
      3   0.633024D+01 -0.250415D+01 -0.673760D+00 -0.216141D+01  0.779263D+01
                46            47            48            49            50 
      1  -0.598049D+01  0.425338D+00  0.391254D+01 -0.265629D+01 -0.470365D+01
      2  -0.579635D+01 -0.894148D+00  0.132313D+01 -0.950952D+00 -0.109942D+01
      3  -0.542232D+02 -0.328850D+02  0.657821D+01 -0.116181D+02 -0.262928D+02
                51            52            53            54            55 
      1  -0.272520D+01  0.905586D+01 -0.549947D+01 -0.325045D+01 -0.159435D+01
      2   0.858601D+00 -0.181641D+02  0.200392D+01  0.208080D+00 -0.803192D+01
      3   0.378964D+01  0.873871D+01  0.599469D+01 -0.753837D+01 -0.306504D+02
                56            57            58            59            60 
      1  -0.637241D+01  0.412509D+01  0.108302D+01 -0.366950D+01 -0.184448D+01
      2  -0.390224D+01 -0.342317D+01 -0.484944D+01 -0.365360D+01  0.354699D+01
      3  -0.366099D+02  0.497939D+01 -0.368938D+01 -0.296561D+02  0.166708D+01
                61            62            63            64            65 
      1   0.566547D+01 -0.309707D+01 -0.621062D+00  0.345060D+00  0.732889D+00
      2  -0.227662D+02  0.645165D+01  0.732556D+00 -0.619682D+00 -0.294504D+00
      3   0.437705D+01  0.629437D+01 -0.117913D+02 -0.115161D+01  0.171641D+01
                66            67            68            69            70 
      1   0.553849D+00 -0.442358D+00  0.169960D+01 -0.332409D+01  0.128021D+00
      2  -0.191854D+00 -0.748913D+00  0.861482D+00 -0.112472D+01 -0.207059D+01
      3   0.113983D+00  0.529154D+01  0.420719D+01 -0.596372D+00 -0.289995D-01
                71            72            73            74            75 
      1   0.210258D+01 -0.254289D+00 -0.190320D+00 -0.124398D+01 -0.227404D+01
      2   0.138375D+01 -0.646693D-01  0.361459D+01  0.131699D+01  0.159669D+01
      3  -0.462710D+00 -0.882756D+00  0.939503D+01  0.261771D+00 -0.883838D+00
                76            77            78            79            80 
      1  -0.146834D+01 -0.209884D+01 -0.260115D+01  0.321236D+01  0.123486D+01
      2   0.187757D+01  0.147922D+01  0.217504D+01 -0.307777D+01 -0.240181D-01
      3   0.175443D+01 -0.142295D+01 -0.156411D+00 -0.191573D+01  0.174007D+00
                81            82            83            84            85 
      1  -0.230539D+00 -0.117934D+01  0.150032D+01  0.122111D+01  0.326744D+00
      2  -0.653262D+00 -0.740558D+00  0.876467D+00  0.610924D+00  0.706892D+00
      3  -0.128835D+01 -0.513940D+01  0.287677D+01  0.175763D-01  0.501538D+01
                86            87            88            89            90 
      1  -0.424383D+01 -0.437915D+01 -0.124466D+01  0.249663D+01  0.395714D+00
      2  -0.130322D+01 -0.831687D+00 -0.182623D+00 -0.990412D+00  0.217599D+00
      3  -0.404232D+01  0.731725D+00  0.586644D+00  0.525681D+00  0.103855D+01
                91            92            93            94            95 
      1  -0.136681D+01  0.924038D+00 -0.159471D+00 -0.257214D+01 -0.872606D-01
      2  -0.273391D+02 -0.260611D+01 -0.101654D+02  0.145846D+01  0.859811D+01
      3  -0.129542D+01 -0.360319D+01 -0.966657D+00  0.175568D+02 -0.607111D+01
                96            97            98            99           100 
      1  -0.344128D+01 -0.290994D+01  0.314345D+01  0.355573D+01  0.513229D+00
      2  -0.127184D+01 -0.456237D+02 -0.630588D+01 -0.603546D+01 -0.230299D+01
      3  -0.132213D+02 -0.278878D+01 -0.131364D+02  0.615110D+01  0.111408D+02
               101           102           103           104           105 
      1  -0.328744D+01  0.394591D+01 -0.878215D+00 -0.407502D+01  0.566260D+01
      2   0.478678D+01  0.171709D+02  0.113494D+01 -0.887723D+01  0.435014D+01
      3  -0.170057D+02 -0.676530D+01 -0.111540D+02  0.240087D+00  0.143843D+02
               106           107           108           109           110 
      1   0.124801D+00  0.104262D+02  0.160711D+01 -0.677380D+01 -0.213331D+01
      2   0.880313D+01  0.100258D+02  0.147107D+02  0.229876D+02  0.237725D+01
      3  -0.515803D+01  0.967102D+01 -0.156396D+02  0.124465D+01  0.165725D+02
               111           112           113           114           115 
      1   0.399700D+01 -0.135965D+02 -0.354644D+01 -0.169999D+02  0.426144D+01
      2   0.123535D+01 -0.176435D+01  0.375558D+00 -0.287479D+01  0.280615D+02
      3   0.425536D+00  0.130477D+02  0.889848D+01  0.306581D+01  0.107880D+01
               116           117           118           119           120 
      1  -0.433722D+01  0.178506D+01 -0.695278D+00 -0.130269D+01  0.521933D+00
      2  -0.727948D+00  0.671755D+00 -0.342609D+01 -0.792814D+00  0.605693D+01
      3   0.592220D+01 -0.945177D+00 -0.776907D+01 -0.597787D+01  0.217853D+01
               121           122           123           124           125 
      1   0.435316D-01 -0.235094D+01  0.568464D+00  0.342142D+00  0.282326D+01
      2   0.616103D+00 -0.527908D+01  0.577728D+01  0.672412D+01  0.493875D+01
      3  -0.188163D+01 -0.897475D+01  0.720531D+01  0.221272D+01  0.857229D+01
               126           127           128           129           130 
      1  -0.101877D+01 -0.113858D+01  0.149105D+01 -0.272882D+01  0.308136D+00
      2  -0.925444D+01 -0.760761D+01 -0.320461D+01 -0.977208D+01  0.256395D+00
      3  -0.648064D+01  0.375860D+01  0.519969D+01  0.647197D+01  0.321652D+01
               131           132           133           134           135 
      1  -0.726787D-02 -0.213394D+01 -0.176187D+01  0.120594D+01 -0.768861D+01
      2  -0.386763D+01 -0.482960D+01 -0.596177D+01 -0.844722D+01 -0.258829D+02
      3   0.436058D+01  0.449375D+01  0.285169D+01  0.650082D+01  0.129444D+02
               136           137           138           139           140 
      1   0.189440D+01  0.144034D+01 -0.217196D+01  0.365286D+00  0.800272D+01
      2   0.211604D+01 -0.608579D+00 -0.206045D+01 -0.609725D+00  0.551410D+01
      3   0.536707D+01  0.504303D+01 -0.177814D+01  0.326318D+01  0.178251D+02
               141           142           143           144           145 
      1  -0.708335D+01 -0.382560D+00 -0.509932D+01  0.679288D+01  0.371571D+00
      2  -0.524370D+01 -0.176032D+01 -0.542528D+01  0.561918D+01  0.721141D+01
      3  -0.706939D+01 -0.184721D+01 -0.115124D+02  0.827254D+01 -0.651212D+01
               146           147           148           149           150 
      1  -0.172784D+01  0.180437D+01 -0.121100D+01  0.702364D+00 -0.125715D+01
      2  -0.372199D+00  0.556662D+01 -0.135789D+01  0.191146D+01 -0.238585D+00
      3  -0.599923D+01 -0.210810D+00 -0.138173D+01  0.795269D+00 -0.146914D+01
               151           152           153           154           155 
      1   0.128451D+01 -0.520699D+00 -0.427906D+00  0.529994D+01  0.202256D+01
      2   0.261708D+01 -0.154277D+01 -0.240691D+01 -0.994286D+01  0.291399D+00
      3   0.126221D+01 -0.135919D+01  0.548396D+00 -0.705650D+01 -0.265037D+02
               156           157           158           159           160 
      1  -0.399495D+01  0.995092D+01  0.257127D+01  0.111011D+01 -0.201093D+01
      2   0.237602D+02  0.323642D+01 -0.111996D+01  0.417360D+01  0.789126D+01
      3  -0.152149D+01 -0.166768D+02 -0.114605D+02 -0.194526D+01 -0.425090D+00
               161           162           163           164           165 
      1   0.309728D+01 -0.257348D+00  0.651016D+01  0.207730D+01  0.133679D+01
      2   0.319840D+01  0.275995D+01 -0.928437D+01 -0.293179D+01  0.170940D+01
      3  -0.311653D+01 -0.180612D+01 -0.329709D+01 -0.292501D+01  0.520195D+00
               166           167           168           169           170 
      1   0.499996D+01 -0.395791D+00  0.490853D+01  0.202709D+01  0.769490D+01
      2  -0.243348D+01  0.594162D+01  0.463188D+00 -0.122298D+02  0.519872D+00
      3   0.179815D+01  0.669664D+00 -0.561515D+01  0.151102D+01 -0.293732D+01
               171           172           173           174           175 
      1  -0.133218D+01 -0.626823D+01 -0.162902D+01 -0.222721D+01 -0.593453D+01
      2   0.226923D+02  0.217624D+02  0.162695D+01 -0.628623D+01  0.344933D+01
      3   0.593495D+00  0.270912D+01  0.159527D+01  0.117370D-02  0.477665D+01
               176           177           178           179           180 
      1   0.259615D+00 -0.287616D+01 -0.200500D+01 -0.112661D+01 -0.631116D+00
      2   0.225205D+01 -0.972457D+00 -0.128724D+01  0.565542D+00  0.160189D+01
      3  -0.324362D-01 -0.996894D+00  0.371765D+00  0.102165D+01  0.155177D+00
               181           182           183           184           185 
      1  -0.267994D+00  0.474806D+01 -0.450137D+01 -0.327359D+01  0.311847D+00
      2   0.794502D+00  0.198816D+01  0.621414D+01 -0.689941D+01  0.258149D+01
      3   0.170264D+02  0.811723D+01 -0.258269D+01 -0.185958D+02  0.846807D+01
               186           187           188           189           190 
      1  -0.119961D+01 -0.123293D+02  0.659209D+01  0.227080D+01  0.286746D+01
      2   0.286494D+01 -0.355110D+01  0.115015D+02 -0.345826D+01 -0.120230D+02
      3   0.762452D+00  0.198080D+01 -0.398147D+01  0.817061D+00  0.111320D+02
               191           192           193           194           195 
      1   0.776362D+01  0.168027D+00  0.749680D+01  0.681637D+01  0.146438D+01
      2  -0.847913D+00 -0.110744D+01  0.307735D+01 -0.243903D+01 -0.642671D+00
      3   0.232776D+02 -0.369354D+01  0.509740D+02  0.103108D+02 -0.663793D+01
               196           197           198           199           200 
      1  -0.138735D+01  0.132602D+02 -0.184327D+01 -0.591267D+00 -0.697694D+01
      2   0.241819D+01 -0.441250D+01 -0.183724D+01  0.161829D+02 -0.924351D+00
      3  -0.717541D+01 -0.549231D+01 -0.657015D+00  0.102425D+02 -0.399822D+02
               201           202           203           204           205 
      1   0.319879D+00 -0.102300D+01 -0.375183D+01 -0.209137D+01  0.765190D+01
      2   0.227602D+01  0.349069D+01 -0.180052D+01 -0.311108D+01 -0.206891D+02
      3   0.392038D+01 -0.334830D+01 -0.142136D+02  0.341439D+01  0.105559D+01
               206           207           208           209           210 
      1   0.294688D+01 -0.133559D+01 -0.265769D+01 -0.711078D+01 -0.711314D+00
      2  -0.173551D+02  0.444204D+01  0.150029D+01 -0.175385D+01  0.142525D+02
      3   0.881336D+01  0.746750D+01 -0.781773D+01 -0.439549D+02  0.424494D+01
               211           212           213           214           215 
      1  -0.949351D-01  0.316839D+00 -0.473480D+01 -0.209560D+01 -0.138066D+01
      2  -0.128590D+01  0.343574D+00  0.518959D+01 -0.578308D+01 -0.157807D+01
      3  -0.369606D+01  0.115591D+02 -0.714294D+00  0.271498D+01  0.490146D+01
               216           217           218           219           220 
      1   0.125491D+01 -0.817086D+00  0.287330D+01  0.955505D+00  0.478957D+01
      2  -0.110184D+01 -0.660129D+01 -0.403522D+01 -0.776374D+00 -0.369026D+01
      3   0.287488D+01 -0.316758D+02  0.130759D+02  0.616830D+01  0.328509D+02
               221           222           223           224           225 
      1   0.381988D+01  0.405531D+01  0.126946D+02  0.676475D+01 -0.338126D+00
      2  -0.352186D+01 -0.375755D+02 -0.200403D+02 -0.294566D+02  0.137113D+02
      3   0.252798D+02  0.812420D+00  0.499037D+01  0.143824D+01  0.296443D+02
               226           227           228           229           230 
      1  -0.284354D+00  0.469041D+00  0.116430D+01 -0.164876D+00  0.381078D+00
      2  -0.581349D+00  0.140593D+00  0.283914D+00  0.562266D+00 -0.205331D+01
      3  -0.706773D+01  0.566516D+01  0.161666D+00  0.508193D+01 -0.202831D+02
               231           232           233           234           235 
      1  -0.437440D+01 -0.335595D+00  0.256821D+01  0.255432D+00  0.167049D+01
      2   0.654996D+00  0.244331D+00 -0.216242D+00 -0.257995D-01 -0.186347D+01
      3   0.176446D+01  0.376030D+00  0.119746D+01  0.367815D+00  0.504331D+01
               236           237           238           239           240 
      1   0.151947D+00 -0.189470D+01  0.607765D+00 -0.126655D+00 -0.260822D+01
      2  -0.136592D+01  0.200947D+01 -0.212252D+01 -0.230816D+01  0.349133D+01
      3  -0.484302D+01 -0.227913D+00 -0.558555D+01 -0.116734D+02  0.157449D+01
               241           242           243           244           245 
      1   0.224106D+01  0.860079D+00  0.559297D-02 -0.216701D+00  0.592970D+00
      2  -0.242748D+01  0.513628D+00 -0.329111D+00 -0.112842D-01  0.632690D+00
      3  -0.249103D+00  0.150453D+01 -0.154024D+01  0.402515D+01 -0.352755D+01
               246           247           248           249           250 
      1   0.117120D+01  0.377374D+00 -0.493187D+00 -0.380577D+01 -0.241213D+00
      2   0.118093D+01  0.256694D+00  0.551574D+00 -0.321912D+01 -0.172104D+01
      3  -0.272233D+00 -0.290875D+01  0.202054D+02 -0.125081D+01  0.971655D-02
               251           252           253           254           255 
      1   0.158160D+01  0.833651D-01 -0.100415D+01  0.251510D+00  0.102155D+01
      2   0.109501D+00  0.273350D+00 -0.612091D+01  0.910713D+00 -0.262945D+01
      3  -0.191385D+01  0.722694D-01 -0.947806D+00  0.120017D+01 -0.112322D+01
               256           257           258           259           260 
      1  -0.176552D+00 -0.115768D+01 -0.180601D+01 -0.215326D+01  0.211610D+01
      2  -0.553251D+01 -0.110467D+02  0.174865D+02  0.150254D+02  0.175390D+02
      3  -0.971981D+01 -0.175622D+02  0.126895D+02  0.702383D+01  0.142518D+02
               261           262           263           264           265 
      1   0.352045D+01 -0.240764D+00 -0.355093D+00 -0.171487D+00 -0.289597D+01
      2  -0.368431D+02  0.934631D+01  0.309294D+01  0.137931D+01  0.835763D+01
      3  -0.189448D+02 -0.505120D+01 -0.301173D+01 -0.247074D+01 -0.158952D+02
               266           267           268           269           270 
      1  -0.296247D+01 -0.414990D+01 -0.416823D+01 -0.116567D+01 -0.503941D+01
      2   0.122100D+02  0.158826D+02  0.134419D+02  0.162703D+02  0.208822D+02
      3  -0.259756D+02 -0.122026D+02 -0.103603D+02 -0.170592D+02 -0.159238D+02
               271           272           273           274           275 
      1   0.173953D+01 -0.108571D+01  0.110462D+00 -0.137867D+01  0.793260D+00
      2  -0.124218D-01  0.513646D+00  0.838898D+01  0.101710D+01  0.331141D+00
      3   0.231153D+02 -0.127052D+02 -0.223817D+01 -0.155024D+02  0.118458D+02
               276           277           278           279 
      1  -0.886432D+00 -0.136844D+01  0.258749D+00  0.169856D+00
      2  -0.279039D+01  0.807769D+01  0.396238D+00 -0.224766D+01
      3   0.829678D+00 -0.193196D+01  0.150654D+00 -0.143054D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.887311D+02 -0.419785D+02  0.116725D+02  0.879211D+02 -0.436647D+01
      2   0.471846D+02  0.230781D+02 -0.747029D+01 -0.442594D+02  0.723361D+01
      3   0.415466D+02  0.189004D+02 -0.420223D+01 -0.436617D+02 -0.286715D+01
      4  -0.401410D+02 -0.371373D+00  0.270873D+01 -0.419323D+01  0.593537D+01
      5   0.161138D+02  0.229701D+01 -0.174962D+01  0.723284D+00  0.189118D+01
      6   0.165900D+01 -0.357430D+01  0.123031D+01  0.308022D+01  0.208661D+01
                 6             7             8             9            10 
      1  -0.962834D+01  0.295082D+01  0.426771D+01 -0.105397D+02  0.859740D+02
      2   0.374530D+01 -0.338584D+01 -0.350699D+01 -0.132608D+01 -0.370716D+02
      3   0.588305D+01  0.435019D+00 -0.760717D+00  0.118658D+02 -0.489024D+02
      4   0.893284D-01  0.472179D+01  0.654846D-01 -0.297711D+00  0.175740D+02
      5  -0.605986D+00 -0.178988D+01  0.137335D+01  0.315662D+01 -0.145584D+02
      6  -0.814733D+00 -0.284535D+01  0.228570D+01  0.216809D+01 -0.149879D+00
                11            12            13            14            15 
      1   0.147783D+01 -0.101777D+02 -0.985738D+02 -0.251300D+02  0.108635D+02
      2  -0.522183D+00  0.326200D+01  0.443280D+02  0.213256D+02 -0.712855D+01
      3  -0.955649D+00  0.691565D+01  0.542459D+02  0.380440D+01 -0.373498D+01
      4  -0.118133D+01 -0.236065D+01 -0.179921D+02 -0.150773D+02  0.245622D+01
      5  -0.115766D+01 -0.520776D+01  0.907604D+00 -0.279124D+00 -0.254899D-01
      6   0.393261D+00 -0.546410D+00 -0.192375D+00 -0.493215D+01 -0.839422D-01
                16            17            18            19            20 
      1  -0.104065D+01  0.132912D+01 -0.884468D+01  0.583277D+02  0.493967D+02
      2  -0.157081D+01 -0.126761D+01 -0.148832D+01 -0.304256D+02 -0.331055D+02
      3   0.261146D+01 -0.615087D-01  0.103330D+02 -0.279021D+02 -0.162911D+02
      4  -0.143161D+00  0.227226D+01 -0.181734D+01  0.398977D+02 -0.315814D+01
      5   0.930466D+00 -0.169094D+01  0.349585D+01 -0.153783D+02 -0.458819D+01
      6  -0.168624D+01  0.374302D+01  0.426378D+00 -0.163609D+01  0.960298D+01
                21            22            23            24            25 
      1  -0.165233D+02 -0.102993D+02  0.245658D+02 -0.904936D+01 -0.853731D+01
      2   0.928181D+01  0.180164D+02 -0.283397D+02  0.541006D+01 -0.560026D+00
      3   0.724149D+01 -0.771713D+01  0.377389D+01  0.363930D+01  0.909733D+01
      4  -0.376232D+01  0.188125D+02  0.133850D+01 -0.172446D+01 -0.128454D+02
      5  -0.251444D+01 -0.756912D+01 -0.199518D+01 -0.621270D+01  0.913685D+01
      6  -0.133082D+01 -0.368329D+01  0.863737D+01  0.452383D+01  0.546837D+00
                26            27            28            29            30 
      1  -0.181945D+02 -0.601322D+01  0.192173D+02 -0.197422D+01  0.119303D+02
      2   0.105157D+02 -0.472359D+01 -0.282372D+02  0.420703D+01 -0.596586D+01
      3   0.767879D+01  0.107368D+02  0.901986D+01 -0.223281D+01 -0.596443D+01
      4  -0.178141D+01 -0.337349D+01 -0.131000D+02  0.913384D+01 -0.138576D+01
      5  -0.850205D+01  0.448864D+01  0.159234D+02 -0.153983D+01  0.840912D+01
      6   0.896114D+01  0.384336D+01  0.446353D+01 -0.487729D+01  0.145153D+01
                31            32            33            34            35 
      1  -0.346627D+02 -0.659662D+02  0.961062D+01  0.179031D+02  0.111131D+02
      2   0.271063D+02  0.554792D+02 -0.106151D+02 -0.205896D+01 -0.826889D+01
      3   0.755638D+01  0.104870D+02  0.100450D+01 -0.158442D+02 -0.284426D+01
      4  -0.389803D+02  0.112714D+01 -0.117076D+01  0.965936D+01 -0.235496D+01
      5   0.108833D+02  0.202349D+01  0.233649D+00  0.256722D+02  0.426815D+01
      6   0.889891D+00 -0.159436D+02 -0.480084D+00 -0.813507D+00  0.556683D+01
                36            37            38            39            40 
      1  -0.752870D+01 -0.980766D+01 -0.658008D+02  0.978627D+01  0.269652D+02
      2  -0.723701D+01  0.465322D+01  0.510102D+02 -0.422856D+01 -0.288587D+02
      3   0.147657D+02  0.515444D+01  0.147906D+02 -0.555771D+01  0.189349D+01
      4  -0.157589D+01 -0.764169D+01 -0.128219D+02  0.514901D+01  0.115354D+02
      5  -0.201626D+01 -0.290004D+01  0.939706D+01  0.362270D+01  0.294342D+01
      6   0.843376D+00  0.480768D+01 -0.953682D+01  0.850065D+01  0.546266D+01
                41            42            43            44            45 
      1   0.398759D+02 -0.452075D+01  0.550941D+01  0.829565D+01 -0.163106D+02
      2  -0.356223D+02  0.598863D+01  0.768007D+01 -0.691176D+00  0.472279D+00
      3  -0.425357D+01 -0.146788D+01 -0.131895D+02 -0.760448D+01  0.158384D+02
      4  -0.139922D+02  0.354261D+01  0.100606D+02  0.520772D+01  0.870050D+01
      5   0.634623D+00  0.511496D+01  0.160673D+02  0.533218D+01 -0.638977D+01
      6   0.123004D+02 -0.800482D+00  0.189782D+02  0.103948D+02 -0.812497D+01
                46            47            48            49            50 
      1   0.147083D+02  0.453646D+02 -0.111025D+02 -0.202616D+02 -0.172656D+01
      2  -0.113681D+02 -0.329991D+02  0.469882D+01  0.162789D+02 -0.984339D+01
      3  -0.334027D+01 -0.123655D+02  0.640371D+01  0.398273D+01  0.115700D+02
      4  -0.367461D+01 -0.449335D+01  0.430704D+00  0.273026D+01  0.137358D+02
      5   0.122040D+02 -0.155139D+01 -0.793143D+00  0.275349D+01 -0.136132D+01
      6  -0.430267D+00  0.126165D+02 -0.844914D+01 -0.341902D+01  0.427107D+01
                51            52            53            54            55 
      1   0.406814D-01 -0.268016D+01 -0.614681D+01 -0.233214D+02  0.197954D+02
      2   0.342369D+01  0.642969D-01  0.143431D+02  0.121131D+02 -0.171172D+02
      3  -0.346437D+01  0.261587D+01 -0.819632D+01  0.112083D+02 -0.267820D+01
      4  -0.212516D+01 -0.338119D+00  0.182860D+01 -0.465578D+01  0.293370D+02
      5  -0.345922D+00  0.260140D+01 -0.540605D+00  0.453574D+01 -0.123970D+02
      6   0.690796D+01 -0.462661D+01  0.227012D+02 -0.477033D+01 -0.223175D+01
                56            57            58            59            60 
      1   0.488073D+02 -0.987126D+01  0.264247D+01  0.230958D+02 -0.428906D+01
      2  -0.301236D+02  0.483100D+01  0.312712D+01 -0.231313D+02  0.371108D+01
      3  -0.186837D+02  0.504025D+01 -0.576958D+01  0.354404D-01  0.577978D+00
      4  -0.346022D+02  0.328549D+00  0.301956D+02  0.175233D+02 -0.191794D+01
      5  -0.158829D+00 -0.731453D+01 -0.502101D+01 -0.685189D+00  0.467967D+01
      6   0.414964D+01 -0.613732D+01 -0.194944D+01  0.482168D+01  0.591590D+01
                61            62            63            64            65 
      1  -0.415359D+01 -0.902550D+01 -0.199244D+02  0.174910D+01 -0.229749D+00
      2   0.283364D+01  0.984918D+01  0.842699D+01  0.143256D+01 -0.117553D+01
      3   0.131995D+01 -0.823676D+00  0.114974D+02 -0.318166D+01  0.140528D+01
      4  -0.454045D+01  0.786274D+01  0.117906D+02 -0.729554D+01  0.915613D+01
      5   0.252499D+01  0.141970D+02  0.108699D+01 -0.289995D+01  0.153269D+01
      6   0.322226D+00  0.217048D+02 -0.218753D+00  0.190129D+01 -0.156624D+01
                66            67            68            69            70 
      1  -0.872345D+00  0.417809D+01 -0.220122D+02  0.212583D-01 -0.304661D+01
      2   0.438928D+00 -0.783640D+01  0.279097D+02 -0.843748D-01  0.235650D+01
      3   0.433417D+00  0.365831D+01 -0.589748D+01  0.631165D-01  0.690118D+00
      4   0.617289D+00  0.123739D+02 -0.179018D+02 -0.290319D+00  0.399916D+00
      5   0.816228D+00  0.149400D+01 -0.352939D+00 -0.197105D+01  0.234761D+00
      6  -0.546913D+00 -0.234881D+01  0.411786D+01  0.452812D+01 -0.193053D+01
                71            72            73            74            75 
      1   0.263462D+01 -0.263731D+01  0.467393D+01 -0.355790D+01  0.126371D+01
      2  -0.232720D+01  0.306495D+01  0.509782D+01  0.108893D+02 -0.123630D+01
      3  -0.307420D+00 -0.427637D+00 -0.977175D+01 -0.733136D+01 -0.274080D-01
      4   0.875036D+00 -0.676664D+00  0.285237D+02  0.238424D+02 -0.549440D+01
      5   0.350227D+00 -0.152227D+00 -0.906713D+01 -0.565155D+01  0.525903D+01
      6   0.189769D+01 -0.550684D+00 -0.774813D+01 -0.704481D+01  0.456433D+01
                76            77            78            79            80 
      1  -0.799091D+01 -0.155662D+02  0.427685D+01 -0.592195D+00  0.233033D+01
      2   0.169522D+02  0.260383D+02 -0.405303D+01 -0.254051D+01 -0.293171D+01
      3  -0.896127D+01 -0.104721D+02 -0.223826D+00  0.313270D+01  0.601384D+00
      4   0.274865D+02  0.314228D+02 -0.611935D+01 -0.645472D+01 -0.544988D+01
      5  -0.612360D+01 -0.642856D+01  0.466464D+01  0.161337D+01  0.354982D+01
      6  -0.901916D+01 -0.110394D+02  0.725905D+01  0.658257D+00  0.456113D+01
                81            82            83            84            85 
      1  -0.806141D+00 -0.583805D+01  0.947988D+01 -0.322266D+00  0.597927D+01
      2   0.156361D+01  0.831398D+01 -0.135529D+02  0.454295D+00 -0.746525D+01
      3  -0.757470D+00 -0.247593D+01  0.407298D+01 -0.132029D+00  0.148598D+01
      4   0.376207D+01 -0.513548D+01  0.135980D+02 -0.127111D+01  0.736194D+01
      5  -0.184832D+01  0.162675D+01 -0.263664D+01  0.204341D+01 -0.145729D+01
      6  -0.231987D+01 -0.177275D+01  0.203791D+01 -0.191709D+01  0.200842D+01
                86            87            88            89            90 
      1  -0.557396D+02  0.637026D+01 -0.201182D+00  0.460778D+01 -0.255969D+01
      2   0.740636D+02 -0.617526D+01  0.662978D+00 -0.546867D+01  0.286011D+01
      3  -0.183240D+02 -0.194997D+00 -0.461796D+00  0.860890D+00 -0.300421D+00
      4  -0.154903D+02  0.174406D+01 -0.100701D+01 -0.266640D+00 -0.153465D+01
      5   0.487791D+01 -0.165988D+01  0.106916D+01 -0.179135D+01  0.169331D+00
      6  -0.144084D+02  0.907479D+01  0.544752D+00  0.508932D+01 -0.173641D+01
                91            92            93            94            95 
      1  -0.447841D+02 -0.191553D+02 -0.122447D+02 -0.897482D+01  0.326224D+00
      2   0.375924D+02  0.160078D+02  0.619078D+01  0.102172D+02  0.248717D+00
      3   0.719173D+01  0.314747D+01  0.605394D+01 -0.124239D+01 -0.574941D+00
      4  -0.117411D+02 -0.108189D+02  0.233116D+01 -0.213877D+02  0.107282D+02
      5  -0.173823D+02  0.193522D+01 -0.242628D+02  0.856740D+01  0.270894D+02
      6   0.410848D+00  0.489300D+01 -0.473009D-01  0.733359D+01 -0.341238D+01
                96            97            98            99           100 
      1   0.100350D+02 -0.373685D+02 -0.151535D+01 -0.205326D+02 -0.599570D+02
      2  -0.110385D+02  0.271346D+02 -0.410915D+01  0.138513D+02  0.322958D+02
      3   0.100353D+01  0.102339D+02  0.562449D+01  0.668132D+01  0.276612D+02
      4   0.272029D+02  0.230158D+01  0.219573D+02 -0.100089D+02  0.298060D+02
      5  -0.308016D+01 -0.473279D+02 -0.124943D+02  0.125692D+01  0.303843D+02
      6  -0.982985D+01 -0.648510D+01 -0.278560D+01  0.704418D+01 -0.660349D+01
               101           102           103           104           105 
      1   0.277408D+02  0.283363D+02  0.592082D+01  0.523574D+01 -0.559813D+01
      2  -0.195298D+02 -0.635099D+01 -0.793747D+01 -0.498943D+01  0.195283D+02
      3  -0.821108D+01 -0.219853D+02  0.201665D+01 -0.246309D+00 -0.139302D+02
      4   0.100443D+02 -0.613595D+00  0.171274D+02 -0.144797D+02 -0.261925D+02
      5  -0.159268D+00  0.208191D+02  0.206594D+01 -0.273085D+02  0.441397D+01
      6  -0.416979D+01 -0.127888D+02 -0.751359D+01  0.135640D+02 -0.671438D+00
               106           107           108           109           110 
      1   0.196617D+02  0.173832D+01  0.383255D+02 -0.105293D+03 -0.150320D+02
      2  -0.837287D+01  0.148604D+02 -0.152893D+02  0.425375D+02  0.167358D+01
      3  -0.112888D+02 -0.165987D+02 -0.230362D+02  0.627550D+02  0.133584D+02
      4   0.281612D+01 -0.175019D+02  0.100433D+02 -0.276804D+02 -0.240498D+02
      5   0.139106D+02  0.158607D+02  0.140721D+02 -0.216042D+02 -0.831350D+01
      6  -0.738407D+01 -0.726276D+01 -0.158312D+02 -0.241704D+01 -0.225428D+01
               111           112           113           114           115 
      1  -0.140965D+02 -0.129766D+02 -0.855898D+01 -0.604347D+01  0.528922D+02
      2   0.415365D+01  0.206095D+01  0.683904D+01  0.179640D+01 -0.413512D+02
      3   0.994283D+01  0.109156D+02  0.171994D+01  0.424706D+01 -0.115410D+02
      4  -0.669825D+01  0.111968D+02 -0.939825D+01 -0.277970D+01 -0.342642D+01
      5  -0.120417D+02 -0.652735D+01 -0.369959D+01 -0.143849D+01  0.450454D+02
      6  -0.220568D+01 -0.505737D+01  0.665384D-01  0.339184D+01  0.889578D+01
               116           117           118           119           120 
      1   0.194047D+01  0.326343D+02  0.178074D+02  0.957002D+01 -0.659370D+01
      2  -0.313166D+01 -0.117643D+02 -0.133244D+02 -0.705026D+01  0.589365D+01
      3   0.119118D+01 -0.208700D+02 -0.448303D+01 -0.251976D+01  0.700057D+00
      4  -0.242553D+01  0.358194D+01  0.161563D+02  0.124537D+02 -0.588510D+01
      5   0.511577D+01  0.380530D+01 -0.172478D+02 -0.693289D+01  0.177119D+02
      6  -0.249891D+01 -0.650924D+00 -0.584658D+01 -0.326361D+01  0.330108D+01
               121           122           123           124           125 
      1   0.196510D+02  0.238842D+01 -0.164796D+01 -0.800559D+01 -0.737173D+00
      2  -0.130508D+02 -0.159566D+01  0.381305D+01  0.887022D+01  0.479730D+01
      3  -0.660023D+01 -0.792765D+00 -0.216509D+01 -0.864629D+00 -0.406013D+01
      4   0.152906D+02  0.195870D+02 -0.160700D+02 -0.775616D+01 -0.160267D+02
      5  -0.135273D+02 -0.166683D+02  0.147023D+02  0.254144D+02  0.134804D+02
      6  -0.522773D+01 -0.889598D+01  0.912732D+01  0.538360D+01  0.783341D+01
               126           127           128           129           130 
      1   0.214508D+01 -0.597512D+01 -0.103172D+02 -0.213217D+02 -0.613134D+00
      2  -0.108885D+02  0.154534D+00  0.639343D+01  0.438665D+01  0.170724D+00
      3   0.874346D+01  0.582058D+01  0.392375D+01  0.169351D+02  0.442410D+00
      4   0.132354D+02  0.375183D+00 -0.539028D+01 -0.133604D+01 -0.793454D-01
      5  -0.282246D+02 -0.468673D+01 -0.400233D+01 -0.959591D+01  0.900214D+00
      6  -0.833323D+01  0.385641D+01  0.612623D+01  0.111431D+02  0.137426D+01
               131           132           133           134           135 
      1  -0.105487D+02 -0.864035D+01 -0.114748D+02 -0.126726D+02 -0.395656D+02
      2   0.606942D+01  0.359374D+01  0.397314D+01  0.335557D+01 -0.172201D+01
      3   0.447930D+01  0.504662D+01  0.750170D+01  0.931703D+01  0.412876D+02
      4  -0.441345D+01 -0.433037D+01  0.710728D+01 -0.107676D+02 -0.120613D+02
      5  -0.409510D+01 -0.662593D+01  0.521491D+01 -0.158773D+02 -0.411508D+02
      6   0.713698D+01  0.117949D+02  0.329223D+00  0.154942D+02  0.296940D+02
               136           137           138           139           140 
      1   0.407788D+00 -0.948554D+01  0.117733D+01 -0.675865D+01 -0.169806D+02
      2   0.246268D+01  0.893809D+01 -0.307831D+01  0.216168D+01  0.307733D+02
      3  -0.287047D+01  0.547459D+00  0.190098D+01  0.459697D+01 -0.137927D+02
      4  -0.321406D+01 -0.316583D+01 -0.744845D+00  0.786735D+01 -0.277900D+02
      5   0.192269D+01  0.118595D+01 -0.446619D+01  0.159616D+01  0.117139D+02
      6  -0.143592D+01  0.588621D+00  0.330552D+01 -0.973415D-03 -0.342868D+01
               141           142           143           144           145 
      1   0.576349D+01  0.470019D+01  0.677659D+01 -0.102026D+02  0.958300D+02
      2  -0.126633D+02 -0.145756D+01 -0.161962D+02  0.108035D+02 -0.484469D+02
      3   0.689985D+01 -0.324263D+01  0.941961D+01 -0.600976D+00 -0.473832D+02
      4   0.963004D+01 -0.817695D+01  0.204133D+02 -0.857111D+01 -0.527749D+02
      5  -0.110449D+02 -0.168917D+01 -0.104633D+02  0.128975D+02 -0.393795D+02
      6   0.732582D+01  0.100799D+01  0.602723D+01 -0.678813D+01  0.108560D+02
               146           147           148           149           150 
      1  -0.190762D+02 -0.145103D+02 -0.929451D+01  0.872205D+01  0.121901D+01
      2   0.578578D+01  0.981572D+01  0.853388D+00 -0.172776D+01 -0.122880D+01
      3   0.132904D+02  0.469460D+01  0.844112D+01 -0.699429D+01  0.978867D-02
      4   0.246627D+02  0.107534D+02  0.171552D+02 -0.866745D+01 -0.782869D+00
      5   0.106727D+02  0.190429D+02  0.284037D+01 -0.225950D+01 -0.133413D+01
      6  -0.581708D+01 -0.584777D+01 -0.399061D+01  0.100653D+01  0.221109D+01
               151           152           153           154           155 
      1  -0.965224D+01  0.148190D+01  0.588583D+01  0.209514D+03  0.269432D+02
      2   0.785915D+01 -0.291236D+01 -0.541335D+01 -0.983900D+02 -0.953982D+01
      3   0.179309D+01  0.143046D+01 -0.472484D+00 -0.111124D+03 -0.174034D+02
      4   0.463647D+01 -0.163238D+00 -0.622569D+01  0.378600D+02  0.439965D+02
      5   0.169831D+02 -0.547413D+01 -0.101020D+02  0.424540D+02  0.914473D+01
      6  -0.459922D+01  0.315530D+01  0.383053D+01  0.706012D+00  0.461118D+01
               156           157           158           159           160 
      1   0.139977D+02  0.233737D+02  0.348816D+02  0.104568D+01  0.124437D+02
      2  -0.123416D+02 -0.629742D+01 -0.117059D+02 -0.869084D+00 -0.113297D+02
      3  -0.165610D+01 -0.170763D+02 -0.231757D+02 -0.176591D+00 -0.111394D+01
      4   0.706608D+01  0.509692D+02  0.258978D+02  0.549222D+01  0.514229D+01
      5   0.427476D+02  0.542499D+01  0.928236D+01  0.622310D+01  0.397077D+02
      6   0.136611D+01  0.994679D+01  0.365505D+01  0.575896D+01  0.214432D+01
               161           162           163           164           165 
      1   0.114655D+01  0.220609D+02  0.717259D+02  0.687845D+01  0.213158D+02
      2  -0.111306D+01 -0.154750D+02 -0.487928D+02 -0.277697D+01 -0.135332D+02
      3  -0.334897D-01 -0.658595D+01 -0.229331D+02 -0.410148D+01 -0.778254D+01
      4   0.367035D+01  0.595204D+01  0.865659D+01  0.634497D+01 -0.118300D+01
      5   0.659216D+01  0.123635D+02  0.434639D+02 -0.613179D+00  0.219087D+02
      6   0.494783D+01  0.184026D+01  0.398931D+01  0.678246D+00  0.619327D+00
               166           167           168           169           170 
      1   0.129391D+02 -0.109253D+02 -0.528940D-01 -0.114609D+02 -0.304775D+01
      2  -0.781502D+01  0.331994D+01  0.329131D+00  0.369875D+01  0.201389D+01
      3  -0.512404D+01  0.760533D+01 -0.276237D+00  0.776211D+01  0.103386D+01
      4   0.259616D+01 -0.214417D+01  0.939145D+01 -0.303859D+01  0.472628D+01
      5   0.506592D+01  0.857802D+01 -0.394069D+00  0.993707D+01 -0.577473D+00
      6   0.261726D+01  0.419289D+00  0.119569D+02 -0.213565D+01  0.101394D+02
               171           172           173           174           175 
      1  -0.369187D+02 -0.584774D+02 -0.220175D+01  0.224396D+01 -0.866286D+01
      2  -0.951863D+01  0.375533D+02  0.127801D+01  0.878672D+01  0.652240D+01
      3   0.464374D+02  0.209242D+02  0.923747D+00 -0.110307D+02  0.214047D+01
      4  -0.182110D+01 -0.440443D+01 -0.387488D+01  0.605204D+00  0.269098D+00
      5   0.382797D+02 -0.318446D+02  0.990417D+00 -0.198431D+02 -0.340823D+01
      6  -0.109388D+01 -0.308737D+01 -0.307883D+01  0.138796D+00 -0.847293D+00
               176           177           178           179           180 
      1  -0.393681D+01  0.816699D+00 -0.182654D+02 -0.995205D+00 -0.107678D+02
      2   0.209732D+01  0.122549D+01  0.172905D+02  0.104846D+01  0.658520D+01
      3   0.183949D+01 -0.204219D+01  0.974949D+00 -0.532510D-01  0.418258D+01
      4  -0.434185D+00  0.279279D+01 -0.185504D+01 -0.862600D+00 -0.149823D+00
      5   0.261095D+01 -0.283785D+01 -0.175625D+02  0.125697D+00 -0.616274D+01
      6  -0.114269D+01  0.286631D+01 -0.991911D+00  0.549079D+00 -0.110856D+01
               181           182           183           184           185 
      1  -0.685090D+01 -0.511108D+02  0.756996D+01  0.953836D+02  0.254580D+02
      2   0.679166D+01  0.359259D+02 -0.377753D+01 -0.646563D+02 -0.210512D+02
      3   0.592369D-01  0.151849D+02 -0.379243D+01 -0.307273D+02 -0.440681D+01
      4  -0.200074D+02  0.419820D+02  0.302590D+01  0.226993D+02 -0.305984D+02
      5   0.118557D+02  0.367343D+01  0.117806D+02 -0.541450D+01  0.657631D+01
      6   0.517399D+01  0.103843D+01  0.736082D+01  0.418805D+01  0.444687D+01
               186           187           188           189           190 
      1  -0.977958D+01 -0.401867D+01  0.703619D+01  0.199395D+01  0.122802D+03
      2   0.770193D+01  0.742441D+01 -0.202571D+01 -0.856738D+01 -0.661949D+02
      3   0.207764D+01 -0.340575D+01 -0.501047D+01  0.657343D+01 -0.566071D+02
      4   0.365912D+01  0.751028D+01  0.324649D+01  0.180367D+02  0.115402D+02
      5   0.775981D+01  0.287068D+02  0.180396D+02 -0.739110D+01 -0.123039D+01
      6   0.267053D+01  0.168381D+02  0.889404D+01 -0.330200D+01  0.229639D+01
               191           192           193           194           195 
      1   0.278392D+02 -0.114936D+02 -0.302245D+02 -0.207347D+02  0.796216D+01
      2  -0.172514D+02  0.346045D+01  0.281134D+02  0.237318D+02 -0.822043D+01
      3  -0.105878D+02  0.803319D+01  0.211108D+01 -0.299715D+01  0.258267D+00
      4   0.288899D+02 -0.452624D+01 -0.193964D+02  0.564688D+02 -0.312430D+01
      5  -0.589438D+01 -0.475735D+00  0.817283D+01 -0.731337D+01 -0.639355D+00
      6   0.285199D+01 -0.247399D+01  0.122614D+01 -0.292956D+01 -0.237583D+01
               196           197           198           199           200 
      1   0.135713D+01  0.256077D+01  0.265758D+02 -0.112280D+03 -0.131150D+02
      2  -0.143217D+01 -0.276721D+01 -0.236511D+02  0.496698D+02  0.663093D+01
      3   0.750383D-01  0.206448D+00 -0.292467D+01  0.626103D+02  0.648402D+01
      4   0.591238D+01 -0.855312D+01  0.299755D+00 -0.184411D+02 -0.312932D+02
      5   0.526668D+02  0.605861D+01 -0.591402D+01  0.143668D+02  0.234399D+01
      6  -0.202008D+01  0.268347D+01  0.301690D+01 -0.244071D+01  0.176077D+01
               201           202           203           204           205 
      1   0.982552D+01 -0.821847D+02 -0.707406D+01  0.571096D+01  0.204669D+02
      2  -0.458842D+01  0.518420D+02 -0.913947D+01 -0.197993D+01 -0.119144D+02
      3  -0.523710D+01  0.303427D+02  0.162135D+02 -0.373103D+01 -0.855249D+01
      4   0.195193D+01 -0.562129D+01 -0.180576D+02 -0.899627D+00 -0.332560D+00
      5   0.385228D+01  0.655419D+01  0.683658D+00 -0.776690D+01  0.305262D+01
      6   0.119092D+00 -0.391864D+01  0.383485D+01  0.469733D+01 -0.418919D+01
               206           207           208           209           210 
      1  -0.374045D+01 -0.186237D+02  0.857736D+01 -0.294994D+02  0.639191D+01
      2   0.611293D+01  0.413202D+01 -0.624437D+01  0.166725D+02  0.268490D+00
      3  -0.237249D+01  0.144917D+02 -0.233299D+01  0.128269D+02 -0.666040D+01
      4   0.191260D+01 -0.251037D+02 -0.268569D+02  0.758183D+01  0.475990D+01
      5  -0.268640D+02  0.931400D+01  0.526574D+00  0.464107D+01  0.273763D+02
      6   0.163703D+02 -0.546200D+00  0.957636D+00 -0.265366D+01  0.321019D+01
               211           212           213           214           215 
      1   0.658928D+01  0.156138D+02 -0.403573D-01  0.552739D+00  0.663927D+00
      2  -0.850202D+01 -0.576048D+01  0.250546D+01  0.725129D+00 -0.160401D+00
      3   0.191274D+01 -0.985334D+01 -0.246511D+01 -0.127787D+01 -0.503526D+00
      4   0.427903D+02 -0.168377D+02 -0.142080D+01 -0.169112D+01 -0.557174D-01
      5  -0.143999D+01  0.103848D+01  0.872497D+01  0.920851D+01 -0.698663D+01
      6  -0.117288D+01  0.221610D+01  0.772962D+01 -0.388306D+01  0.441630D+01
               216           217           218           219           220 
      1  -0.103533D+01 -0.479049D+02  0.512968D+02 -0.180029D+01  0.424866D+02
      2  -0.758689D-01  0.271160D+02 -0.275716D+02 -0.576533D+00 -0.201511D+02
      3   0.111120D+01  0.207889D+02 -0.237252D+02  0.237683D+01 -0.223355D+02
      4  -0.789792D+01  0.507064D+02 -0.118861D+01 -0.134326D+02 -0.418096D+02
      5  -0.356689D+01 -0.144459D+01 -0.142550D+02 -0.754540D+01 -0.140628D+02
      6  -0.860015D+00 -0.597543D+01 -0.903528D+00 -0.120005D+01 -0.911817D+00
               221           222           223           224           225 
      1  -0.155111D+02 -0.190640D+02 -0.592438D+01 -0.162713D+02 -0.316814D+00
      2   0.736529D+01  0.840829D+00 -0.252840D+01  0.200247D+01  0.289015D+01
      3   0.814577D+01  0.182232D+02  0.845278D+01  0.142688D+02 -0.257333D+01
      4  -0.250658D+02 -0.881549D+01 -0.131742D+02 -0.102100D+02 -0.489219D+02
      5  -0.100331D+02 -0.719244D+02 -0.298945D+02 -0.508745D+02  0.226045D+02
      6  -0.126690D+01 -0.153292D+02 -0.120496D+02 -0.120695D+02  0.792509D+01
               226           227           228           229           230 
      1  -0.519907D+01  0.145462D+02 -0.577935D+00  0.460846D+01 -0.506803D+02
      2   0.636766D+01 -0.142606D+02  0.609212D+00 -0.395055D+01  0.630995D+02
      3  -0.116859D+01 -0.285583D+00 -0.312779D-01 -0.657912D+00 -0.124191D+02
      4   0.168907D+01  0.477130D+01 -0.837339D+00  0.298052D+01  0.199133D+02
      5   0.187490D+00 -0.115723D+01  0.111685D+01 -0.171903D+00  0.111471D+01
      6  -0.253474D+00 -0.213493D+00 -0.140470D+01  0.337648D+00 -0.308738D+01
               231           232           233           234           235 
      1   0.400881D+01  0.235314D+00  0.317116D+01 -0.224998D+01  0.409238D+02
      2  -0.404362D+01 -0.148769D+00 -0.414521D+01  0.263474D+01 -0.151738D+02
      3   0.348143D-01 -0.865450D-01  0.974042D+00 -0.384760D+00 -0.257500D+02
      4  -0.136136D+01 -0.570177D+00 -0.252164D+01 -0.118993D+01  0.338892D+02
      5   0.176258D+01  0.146050D+01 -0.751819D+00 -0.576820D-01 -0.811583D+01
      6   0.688183D+01 -0.191119D+00  0.324495D+01 -0.868395D+00 -0.321598D+01
               236           237           238           239           240 
      1   0.136773D+02 -0.551097D+01  0.174672D+02  0.755201D+01 -0.195403D+01
      2  -0.592689D+00  0.218703D+01  0.268948D+01  0.110939D+02 -0.632810D+00
      3  -0.130846D+02  0.332395D+01 -0.201567D+02 -0.186459D+02  0.258685D+01
      4   0.261913D+02 -0.553718D+01  0.393208D+02  0.412425D+02 -0.720227D+01
      5  -0.400415D+01  0.445452D+01 -0.615153D+01 -0.483387D+01  0.588840D+01
      6  -0.248035D+01  0.227607D+01 -0.414382D+01 -0.461775D+01  0.478291D+01
               241           242           243           244           245 
      1  -0.731222D+01 -0.237623D+01 -0.687107D+00  0.680394D+00 -0.636727D+01
      2   0.172724D+01 -0.660911D+00  0.114636D+01  0.507875D+01 -0.246973D+01
      3   0.558498D+01  0.303714D+01 -0.459248D+00 -0.575915D+01  0.883700D+01
      4  -0.830411D+01 -0.695239D+01  0.334572D+01 -0.202431D+02  0.217570D+02
      5  -0.357408D+00  0.218974D+01 -0.126888D+01  0.266516D+01 -0.149279D+01
      6  -0.140022D+00  0.223346D+01 -0.107692D+01 -0.858612D+00  0.155463D+00
               246           247           248           249           250 
      1   0.969795D+00 -0.284980D+01 -0.159024D+02  0.111406D+01  0.672723D+00
      2  -0.448504D+00 -0.941915D+01  0.339113D+02 -0.960542D+00 -0.574702D-02
      3  -0.521291D+00  0.122690D+02 -0.180089D+02 -0.153521D+00 -0.666976D+00
      4  -0.415027D+00  0.294923D+02 -0.551471D+02  0.301529D+01 -0.962280D+00
      5   0.268138D+01 -0.300830D+01  0.630634D+01 -0.615885D+01  0.242751D+01
      6  -0.166355D+01  0.167799D+01 -0.331930D+01  0.625658D+01 -0.259610D+01
               251           252           253           254           255 
      1   0.220244D+01 -0.146327D+01 -0.789156D+00  0.147071D+01 -0.132550D+02
      2  -0.234805D+01  0.263289D+01 -0.899125D+00 -0.684416D+00  0.513534D+01
      3   0.145610D+00 -0.116962D+01  0.168828D+01 -0.786296D+00  0.811965D+01
      4   0.330964D+01 -0.216710D+01 -0.410037D+00 -0.104230D+01 -0.159003D+01
      5  -0.125947D+01  0.466251D+00 -0.106822D+02 -0.955658D+00 -0.722566D+00
      6   0.325913D+01 -0.880237D+00 -0.181293D+01  0.455356D+00 -0.124809D+01
               256           257           258           259           260 
      1   0.124555D+02  0.390975D+01 -0.137061D+01 -0.361737D+02 -0.165315D+01
      2  -0.751382D+01 -0.153499D+01  0.320011D+01  0.254404D+02  0.410647D+01
      3  -0.494168D+01 -0.237477D+01 -0.182950D+01  0.107333D+02 -0.245333D+01
      4   0.232397D+02  0.255564D+02 -0.216978D+02 -0.174760D+02 -0.210090D+02
      5  -0.165312D+02 -0.211633D+02  0.346358D+02  0.437016D+02  0.318901D+02
      6  -0.598271D+01 -0.873217D+01  0.122833D+02  0.997525D+01  0.114482D+02
               261           262           263           264           265 
      1   0.486237D+01  0.189803D+02  0.824700D+01  0.139102D+02  0.312657D+02
      2  -0.171862D+02 -0.819116D+01 -0.303377D+01 -0.677788D+01 -0.119565D+02
      3   0.123238D+02 -0.107892D+02 -0.521323D+01 -0.713232D+01 -0.193091D+02
      4   0.308124D+02  0.102363D+02  0.721561D+01  0.782271D+01  0.396047D+02
      5  -0.698976D+02  0.171355D+02  0.747238D+01  0.367938D+01  0.211776D+02
      6  -0.156346D+02  0.334481D+01  0.969148D+00 -0.169951D+00  0.563297D+01
               266           267           268           269           270 
      1   0.167911D+02  0.103526D+02  0.487363D+02  0.139145D+02  0.115938D+02
      2  -0.110251D+01 -0.117789D+01 -0.237117D+02 -0.393030D+01 -0.774654D+01
      3  -0.156886D+02 -0.917472D+01 -0.250247D+02 -0.998421D+01 -0.384724D+01
      4   0.430960D+02  0.243666D+02  0.283843D+02  0.292128D+02  0.291660D+02
      5   0.257889D+02  0.311941D+02  0.347797D+02  0.310686D+02  0.417200D+02
      6   0.690322D+01  0.831621D+01  0.892441D+01  0.875660D+01  0.839676D+01
               271           272           273           274           275 
      1   0.184047D+03 -0.340717D+02 -0.119130D+02 -0.753805D+02  0.267435D+02
      2  -0.963527D+02  0.178678D+02  0.741741D+01  0.389923D+02 -0.126547D+02
      3  -0.876945D+02  0.162039D+02  0.449560D+01  0.363882D+02 -0.140888D+02
      4  -0.386640D+02  0.201313D+02  0.388234D+01  0.342551D+02 -0.232554D+02
      5  -0.163580D+02  0.413718D+01  0.171620D+02  0.834354D+01 -0.173336D+01
      6   0.349349D+01 -0.149461D+01 -0.609260D+00 -0.274332D+01  0.203130D+01
               276           277           278           279 
      1   0.622762D+01 -0.727620D+01  0.292521D+01  0.161378D+02
      2  -0.346271D+01  0.552571D+01 -0.128265D+01 -0.973808D+01
      3  -0.276491D+01  0.175049D+01 -0.164256D+01 -0.639968D+01
      4  -0.170455D+01  0.344009D+01  0.341783D+00 -0.676515D+00
      5  -0.593184D+01  0.244447D+02 -0.522187D+00 -0.591683D+01
      6   0.207558D+01 -0.115958D+01  0.255879D+01  0.257687D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:37:33 2021, MaxMem=  5368709120 cpu:           24212.4 elap:            3036.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18865 -19.18667 -19.12808 -10.32044 -10.26517
 Alpha  occ. eigenvalues --  -10.25612 -10.22012 -10.21451 -10.21357 -10.21058
 Alpha  occ. eigenvalues --  -10.20967 -10.20799 -10.20785 -10.20516 -10.20446
 Alpha  occ. eigenvalues --  -10.19679 -10.19646  -1.09645  -1.07469  -1.01503
 Alpha  occ. eigenvalues --   -0.89095  -0.84759  -0.80410  -0.78693  -0.75010
 Alpha  occ. eigenvalues --   -0.74514  -0.70127  -0.67012  -0.63929  -0.62115
 Alpha  occ. eigenvalues --   -0.61607  -0.60347  -0.55282  -0.54049  -0.53293
 Alpha  occ. eigenvalues --   -0.51394  -0.48942  -0.48860  -0.47308  -0.46694
 Alpha  occ. eigenvalues --   -0.46201  -0.45551  -0.44199  -0.43893  -0.42707
 Alpha  occ. eigenvalues --   -0.41681  -0.41577  -0.41109  -0.39584  -0.38501
 Alpha  occ. eigenvalues --   -0.37673  -0.37288  -0.36154  -0.35866  -0.34363
 Alpha  occ. eigenvalues --   -0.32754  -0.32507  -0.30605  -0.27873  -0.25725
 Alpha  occ. eigenvalues --   -0.22704
 Alpha virt. eigenvalues --   -0.06515  -0.03188  -0.00870   0.00103   0.00502
 Alpha virt. eigenvalues --    0.01236   0.02411   0.03525   0.03789   0.04238
 Alpha virt. eigenvalues --    0.05222   0.06104   0.06315   0.06815   0.07244
 Alpha virt. eigenvalues --    0.07880   0.08872   0.09030   0.09823   0.10296
 Alpha virt. eigenvalues --    0.10836   0.11232   0.11377   0.11718   0.12380
 Alpha virt. eigenvalues --    0.12813   0.13175   0.13636   0.14519   0.14824
 Alpha virt. eigenvalues --    0.15372   0.15926   0.16346   0.16738   0.17176
 Alpha virt. eigenvalues --    0.17883   0.18043   0.18671   0.19169   0.19405
 Alpha virt. eigenvalues --    0.19867   0.20712   0.21178   0.21347   0.21939
 Alpha virt. eigenvalues --    0.22592   0.22821   0.23340   0.23695   0.23809
 Alpha virt. eigenvalues --    0.24852   0.25080   0.25393   0.25795   0.26292
 Alpha virt. eigenvalues --    0.27066   0.27327   0.27755   0.28173   0.28730
 Alpha virt. eigenvalues --    0.29070   0.29496   0.30240   0.30505   0.30657
 Alpha virt. eigenvalues --    0.30989   0.31274   0.31571   0.31774   0.32121
 Alpha virt. eigenvalues --    0.32709   0.33062   0.33452   0.33979   0.34332
 Alpha virt. eigenvalues --    0.34464   0.35014   0.35249   0.35472   0.35818
 Alpha virt. eigenvalues --    0.36146   0.36417   0.36489   0.36791   0.36917
 Alpha virt. eigenvalues --    0.37416   0.37750   0.38676   0.39047   0.39392
 Alpha virt. eigenvalues --    0.39517   0.39760   0.40111   0.40499   0.41019
 Alpha virt. eigenvalues --    0.41243   0.41624   0.41740   0.41911   0.42131
 Alpha virt. eigenvalues --    0.42882   0.43204   0.43653   0.44021   0.44544
 Alpha virt. eigenvalues --    0.45193   0.45583   0.46394   0.46484   0.46540
 Alpha virt. eigenvalues --    0.47001   0.47197   0.47679   0.48379   0.48688
 Alpha virt. eigenvalues --    0.49428   0.49574   0.50006   0.50302   0.50919
 Alpha virt. eigenvalues --    0.51091   0.51463   0.51701   0.52232   0.52645
 Alpha virt. eigenvalues --    0.52795   0.53052   0.54035   0.54692   0.55070
 Alpha virt. eigenvalues --    0.55574   0.55852   0.56700   0.57389   0.57965
 Alpha virt. eigenvalues --    0.58202   0.58670   0.59190   0.59408   0.59739
 Alpha virt. eigenvalues --    0.60382   0.60843   0.61441   0.62021   0.62346
 Alpha virt. eigenvalues --    0.63444   0.63829   0.64856   0.65342   0.65466
 Alpha virt. eigenvalues --    0.66064   0.66790   0.67392   0.67966   0.68177
 Alpha virt. eigenvalues --    0.68503   0.69148   0.69435   0.70081   0.70297
 Alpha virt. eigenvalues --    0.71053   0.71461   0.72186   0.72960   0.73023
 Alpha virt. eigenvalues --    0.73595   0.74207   0.74771   0.75835   0.75905
 Alpha virt. eigenvalues --    0.77307   0.77709   0.78296   0.78381   0.79566
 Alpha virt. eigenvalues --    0.80217   0.81410   0.82238   0.82940   0.83094
 Alpha virt. eigenvalues --    0.83889   0.85014   0.85329   0.86408   0.87813
 Alpha virt. eigenvalues --    0.88114   0.88461   0.89709   0.91079   0.91753
 Alpha virt. eigenvalues --    0.91935   0.92595   0.93695   0.94507   0.94703
 Alpha virt. eigenvalues --    0.96092   0.97029   0.97370   0.97590   0.98479
 Alpha virt. eigenvalues --    0.99345   1.00433   1.01184   1.01356   1.01717
 Alpha virt. eigenvalues --    1.01956   1.02303   1.02736   1.03587   1.04111
 Alpha virt. eigenvalues --    1.04767   1.05551   1.07728   1.07937   1.10267
 Alpha virt. eigenvalues --    1.11068   1.11574   1.13683   1.14317   1.14962
 Alpha virt. eigenvalues --    1.15558   1.15692   1.17365   1.18358   1.18473
 Alpha virt. eigenvalues --    1.19252   1.20677   1.21600   1.22819   1.23697
 Alpha virt. eigenvalues --    1.24963   1.25343   1.26370   1.27861   1.28213
 Alpha virt. eigenvalues --    1.29772   1.30504   1.31432   1.31622   1.33385
 Alpha virt. eigenvalues --    1.34482   1.35787   1.35849   1.36755   1.38541
 Alpha virt. eigenvalues --    1.39046   1.41245   1.41951   1.42745   1.44523
 Alpha virt. eigenvalues --    1.46097   1.47263   1.48388   1.48571   1.50271
 Alpha virt. eigenvalues --    1.51186   1.51461   1.53015   1.55354   1.56219
 Alpha virt. eigenvalues --    1.58467   1.58789   1.59696   1.60601   1.61015
 Alpha virt. eigenvalues --    1.62245   1.62525   1.64745   1.65116   1.65962
 Alpha virt. eigenvalues --    1.66330   1.67576   1.68383   1.69380   1.69846
 Alpha virt. eigenvalues --    1.70665   1.71561   1.73725   1.74404   1.75540
 Alpha virt. eigenvalues --    1.77447   1.78489   1.79484   1.80991   1.82434
 Alpha virt. eigenvalues --    1.83249   1.84298   1.85367   1.86136   1.86963
 Alpha virt. eigenvalues --    1.87874   1.88627   1.89032   1.90063   1.91211
 Alpha virt. eigenvalues --    1.91830   1.93453   1.94261   1.94563   1.94998
 Alpha virt. eigenvalues --    1.97160   1.98133   1.98841   1.99523   2.01124
 Alpha virt. eigenvalues --    2.02492   2.03058   2.04226   2.05264   2.05832
 Alpha virt. eigenvalues --    2.06822   2.07140   2.07739   2.08716   2.09962
 Alpha virt. eigenvalues --    2.10976   2.11615   2.12798   2.13131   2.15694
 Alpha virt. eigenvalues --    2.17794   2.18563   2.19688   2.20922   2.22796
 Alpha virt. eigenvalues --    2.23571   2.23825   2.27436   2.27912   2.28422
 Alpha virt. eigenvalues --    2.29016   2.30020   2.30665   2.33057   2.33938
 Alpha virt. eigenvalues --    2.35466   2.37434   2.38901   2.40185   2.41115
 Alpha virt. eigenvalues --    2.42655   2.42990   2.44050   2.45342   2.46142
 Alpha virt. eigenvalues --    2.46863   2.50535   2.50807   2.52176   2.54894
 Alpha virt. eigenvalues --    2.55118   2.55913   2.57349   2.58610   2.59210
 Alpha virt. eigenvalues --    2.63769   2.66221   2.67378   2.69361   2.72232
 Alpha virt. eigenvalues --    2.76945   2.79363   2.80693   2.84715   2.86751
 Alpha virt. eigenvalues --    2.87896   2.89780   2.90555   2.92209   2.92968
 Alpha virt. eigenvalues --    2.93852   2.94487   2.95397   2.97169   2.99971
 Alpha virt. eigenvalues --    3.00093   3.02617   3.03483   3.07635   3.08116
 Alpha virt. eigenvalues --    3.09641   3.10863   3.12249   3.13239   3.14762
 Alpha virt. eigenvalues --    3.15327   3.19079   3.20172   3.21112   3.26254
 Alpha virt. eigenvalues --    3.26847   3.30309   3.46600   3.47724   3.56342
 Alpha virt. eigenvalues --    3.59657   3.64133   3.79173   3.83595   3.99565
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.182191  -1.084861  -1.676780   0.094719  -0.594928  -0.343156
     2  C   -1.084861  12.659655   0.186700  -1.010563   0.392486  -1.609927
     3  C   -1.676780   0.186700  10.289359  -0.863931  -0.030501  -0.320576
     4  C    0.094719  -1.010563  -0.863931  12.192855  -1.229781   0.558027
     5  C   -0.594928   0.392486  -0.030501  -1.229781   9.927443  -0.602376
     6  C   -0.343156  -1.609927  -0.320576   0.558027  -0.602376   9.719334
     7  C   -1.536856  -0.785283  -0.574596   0.081033   0.086515   0.237821
     8  H   -0.954330   0.096463  -0.355480  -1.759359   0.162315   0.173882
     9  H    0.298688  -0.067119   0.026710  -1.087590   0.126009  -1.013271
    10  H   -0.029972  -0.836466   0.147897   0.037293  -1.048607  -0.084240
    11  C    0.030204   0.202534  -0.736349  -0.449971  -0.861957   0.079740
    12  C    0.002643  -0.011777  -0.050924   0.057796   0.110359  -0.000903
    13  C   -0.039124   0.009174   0.074374   0.366694   0.018621  -0.003361
    14  H    0.005554   0.016694   0.050504  -0.135192  -0.186420   0.029104
    15  H    0.008366  -0.000022  -0.083282   0.029675   0.002004  -0.000464
    16  H   -0.006329  -0.001448   0.025705  -0.119569   0.016538   0.000503
    17  H   -0.001803   0.000018   0.039230   0.018195  -0.014734   0.000463
    18  O    0.002923  -0.002436   0.000586  -0.036939   0.016722  -0.005874
    19  O    0.013384   0.001328  -0.018415  -0.036869  -0.005007   0.010402
    20  H   -0.004025  -0.007895   0.042184  -0.036907  -0.018143   0.002647
    21  C    0.625246  -0.537736   0.062900  -0.032631   0.009796   0.021138
    22  C   -0.731264   0.278005   0.068891   0.020439   0.002163   0.212969
    23  C   -0.594551  -1.135035   0.046373   0.184620   0.067760  -1.223378
    24  O    0.024195   0.063666  -0.003711  -0.002177  -0.001146  -0.007496
    25  C    0.000537  -0.001554  -0.000556  -0.000115   0.000010   0.000816
    26  H   -0.188299   0.000255  -0.202891   0.019607  -0.008805  -0.025998
    27  H    0.000564   0.176169   0.022056   0.001863  -0.000675  -0.003681
    28  H    0.046498  -0.139422  -0.006954  -0.011106   0.041631  -0.026353
    29  H    0.001053  -0.002504  -0.000035  -0.000003   0.000007  -0.000183
    30  H    0.001541  -0.002429  -0.000104  -0.000007   0.000007  -0.000162
    31  H   -0.001899   0.000036   0.000053  -0.000000  -0.000002   0.000081
               7          8          9         10         11         12
     1  C   -1.536856  -0.954330   0.298688  -0.029972   0.030204   0.002643
     2  C   -0.785283   0.096463  -0.067119  -0.836466   0.202534  -0.011777
     3  C   -0.574596  -0.355480   0.026710   0.147897  -0.736349  -0.050924
     4  C    0.081033  -1.759359  -1.087590   0.037293  -0.449971   0.057796
     5  C    0.086515   0.162315   0.126009  -1.048607  -0.861957   0.110359
     6  C    0.237821   0.173882  -1.013271  -0.084240   0.079740  -0.000903
     7  C    9.793518  -0.297828  -0.008918  -0.006948   0.019628  -0.004795
     8  H   -0.297828   4.096556   0.027470  -0.018291  -0.126058  -0.094084
     9  H   -0.008918   0.027470   4.214757  -0.903793  -0.656435   0.032608
    10  H   -0.006948  -0.018291  -0.903793   3.609348   0.041640  -0.000698
    11  C    0.019628  -0.126058  -0.656435   0.041640   8.255996   0.190564
    12  C   -0.004795  -0.094084   0.032608  -0.000698   0.190564   4.098389
    13  C   -0.000239  -0.002918   0.055552   0.000926  -0.784059   0.004880
    14  H    0.000052   0.012324  -0.153490   0.005041   0.353800  -0.097450
    15  H    0.000758  -0.103499   0.004581   0.000039   0.142895   0.284159
    16  H   -0.003914   0.038999   0.003666  -0.000056   0.049718   0.278347
    17  H    0.000262   0.019231  -0.003393   0.000014   0.274579  -0.007804
    18  O   -0.000248   0.001008   0.005363  -0.000732   0.054819   0.028531
    19  O    0.000936  -0.004823  -0.019539   0.001301   0.132437  -0.010589
    20  H    0.001245  -0.005487   0.004564  -0.000445  -0.081300   0.001484
    21  C   -0.349413   0.066771   0.000286  -0.013233   0.000256   0.000033
    22  C    0.613150  -0.000313  -0.001839   0.046263  -0.000768  -0.000077
    23  C   -0.444523  -0.009259   0.024385  -0.408839  -0.001677  -0.000303
    24  O    0.001612  -0.000402   0.000050   0.001726   0.000001   0.000003
    25  C    0.039154  -0.000037  -0.000003   0.000070  -0.000003   0.000000
    26  H   -0.446590  -0.269272   0.000084   0.001738   0.003703  -0.001226
    27  H   -0.571424   0.004270   0.000012   0.000080  -0.000069   0.000008
    28  H    0.055767   0.002058  -0.000988  -0.119791  -0.000320  -0.000016
    29  H    0.002535   0.000002  -0.000000  -0.000010  -0.000000   0.000000
    30  H    0.003016  -0.000003  -0.000000  -0.000008  -0.000000   0.000000
    31  H   -0.003223   0.000001   0.000000   0.000002   0.000000  -0.000000
              13         14         15         16         17         18
     1  C   -0.039124   0.005554   0.008366  -0.006329  -0.001803   0.002923
     2  C    0.009174   0.016694  -0.000022  -0.001448   0.000018  -0.002436
     3  C    0.074374   0.050504  -0.083282   0.025705   0.039230   0.000586
     4  C    0.366694  -0.135192   0.029675  -0.119569   0.018195  -0.036939
     5  C    0.018621  -0.186420   0.002004   0.016538  -0.014734   0.016722
     6  C   -0.003361   0.029104  -0.000464   0.000503   0.000463  -0.005874
     7  C   -0.000239   0.000052   0.000758  -0.003914   0.000262  -0.000248
     8  H   -0.002918   0.012324  -0.103499   0.038999   0.019231   0.001008
     9  H    0.055552  -0.153490   0.004581   0.003666  -0.003393   0.005363
    10  H    0.000926   0.005041   0.000039  -0.000056   0.000014  -0.000732
    11  C   -0.784059   0.353800   0.142895   0.049718   0.274579   0.054819
    12  C    0.004880  -0.097450   0.284159   0.278347  -0.007804   0.028531
    13  C    6.241145  -0.003991  -0.042693  -0.019478   0.036633  -0.201925
    14  H   -0.003991   0.964432  -0.020557  -0.036744   0.037653  -0.041344
    15  H   -0.042693  -0.020557   0.937751   0.011713  -0.187934   0.011279
    16  H   -0.019478  -0.036744   0.011713   0.746602  -0.059737   0.015691
    17  H    0.036633   0.037653  -0.187934  -0.059737   1.155156  -0.025000
    18  O   -0.201925  -0.041344   0.011279   0.015691  -0.025000   8.529863
    19  O   -0.284624   0.018340   0.005712  -0.002993  -0.001566   0.123595
    20  H    0.157696  -0.003799   0.000506   0.005285  -0.000537  -0.015585
    21  C    0.000175   0.000026  -0.000035   0.000139  -0.000006  -0.000001
    22  C    0.000375  -0.000000  -0.000000   0.000014   0.000003  -0.000016
    23  C   -0.000535  -0.000254  -0.000026  -0.000016  -0.000009   0.000087
    24  O   -0.000016   0.000000   0.000000  -0.000000   0.000000   0.000000
    25  C   -0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    26  H    0.000492  -0.000020   0.000250  -0.001636   0.000026  -0.000055
    27  H    0.000009  -0.000000  -0.000002   0.000008  -0.000000   0.000000
    28  H   -0.000094  -0.000009  -0.000003  -0.000000  -0.000000   0.000006
    29  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    30  H   -0.000000   0.000000  -0.000000   0.000000   0.000000   0.000000
    31  H    0.000000   0.000000  -0.000000   0.000000  -0.000000  -0.000000
              19         20         21         22         23         24
     1  C    0.013384  -0.004025   0.625246  -0.731264  -0.594551   0.024195
     2  C    0.001328  -0.007895  -0.537736   0.278005  -1.135035   0.063666
     3  C   -0.018415   0.042184   0.062900   0.068891   0.046373  -0.003711
     4  C   -0.036869  -0.036907  -0.032631   0.020439   0.184620  -0.002177
     5  C   -0.005007  -0.018143   0.009796   0.002163   0.067760  -0.001146
     6  C    0.010402   0.002647   0.021138   0.212969  -1.223378  -0.007496
     7  C    0.000936   0.001245  -0.349413   0.613150  -0.444523   0.001612
     8  H   -0.004823  -0.005487   0.066771  -0.000313  -0.009259  -0.000402
     9  H   -0.019539   0.004564   0.000286  -0.001839   0.024385   0.000050
    10  H    0.001301  -0.000445  -0.013233   0.046263  -0.408839   0.001726
    11  C    0.132437  -0.081300   0.000256  -0.000768  -0.001677   0.000001
    12  C   -0.010589   0.001484   0.000033  -0.000077  -0.000303   0.000003
    13  C   -0.284624   0.157696   0.000175   0.000375  -0.000535  -0.000016
    14  H    0.018340  -0.003799   0.000026  -0.000000  -0.000254   0.000000
    15  H    0.005712   0.000506  -0.000035  -0.000000  -0.000026   0.000000
    16  H   -0.002993   0.005285   0.000139   0.000014  -0.000016  -0.000000
    17  H   -0.001566  -0.000537  -0.000006   0.000003  -0.000009   0.000000
    18  O    0.123595  -0.015585  -0.000001  -0.000016   0.000087   0.000000
    19  O    8.254243   0.156440   0.000010  -0.000073  -0.000007   0.000006
    20  H    0.156440   0.541410  -0.000317   0.000097  -0.000171  -0.000007
    21  C    0.000010  -0.000317   8.064765  -1.316166  -0.073928   0.118790
    22  C   -0.000073   0.000097  -1.316166   8.754525  -0.873737  -0.075472
    23  C   -0.000007  -0.000171  -0.073928  -0.873737  11.054988  -0.033701
    24  O    0.000006  -0.000007   0.118790  -0.075472  -0.033701   8.862553
    25  C    0.000000   0.000000  -0.056584   0.153564  -0.011398   0.145216
    26  H   -0.000730   0.000348  -0.702860   0.078076   0.045295   0.014281
    27  H   -0.000002  -0.000001  -0.419232  -0.584917   0.078968  -0.297854
    28  H    0.000001   0.000021   0.132047  -0.908523  -0.498844   0.042936
    29  H    0.000000   0.000000   0.007968  -0.006746   0.003265   0.119167
    30  H   -0.000000  -0.000000   0.008174  -0.007577   0.002880   0.120508
    31  H   -0.000000  -0.000000   0.088063   0.026644   0.009889  -0.300920
              25         26         27         28         29         30
     1  C    0.000537  -0.188299   0.000564   0.046498   0.001053   0.001541
     2  C   -0.001554   0.000255   0.176169  -0.139422  -0.002504  -0.002429
     3  C   -0.000556  -0.202891   0.022056  -0.006954  -0.000035  -0.000104
     4  C   -0.000115   0.019607   0.001863  -0.011106  -0.000003  -0.000007
     5  C    0.000010  -0.008805  -0.000675   0.041631   0.000007   0.000007
     6  C    0.000816  -0.025998  -0.003681  -0.026353  -0.000183  -0.000162
     7  C    0.039154  -0.446590  -0.571424   0.055767   0.002535   0.003016
     8  H   -0.000037  -0.269272   0.004270   0.002058   0.000002  -0.000003
     9  H   -0.000003   0.000084   0.000012  -0.000988  -0.000000  -0.000000
    10  H    0.000070   0.001738   0.000080  -0.119791  -0.000010  -0.000008
    11  C   -0.000003   0.003703  -0.000069  -0.000320  -0.000000  -0.000000
    12  C    0.000000  -0.001226   0.000008  -0.000016   0.000000   0.000000
    13  C   -0.000000   0.000492   0.000009  -0.000094  -0.000000  -0.000000
    14  H   -0.000000  -0.000020  -0.000000  -0.000009  -0.000000   0.000000
    15  H   -0.000000   0.000250  -0.000002  -0.000003  -0.000000  -0.000000
    16  H    0.000000  -0.001636   0.000008  -0.000000   0.000000   0.000000
    17  H    0.000000   0.000026  -0.000000  -0.000000   0.000000   0.000000
    18  O    0.000000  -0.000055   0.000000   0.000006   0.000000   0.000000
    19  O    0.000000  -0.000730  -0.000002   0.000001   0.000000  -0.000000
    20  H    0.000000   0.000348  -0.000001   0.000021   0.000000  -0.000000
    21  C   -0.056584  -0.702860  -0.419232   0.132047   0.007968   0.008174
    22  C    0.153564   0.078076  -0.584917  -0.908523  -0.006746  -0.007577
    23  C   -0.011398   0.045295   0.078968  -0.498844   0.003265   0.002880
    24  O    0.145216   0.014281  -0.297854   0.042936   0.119167   0.120508
    25  C    3.953322   0.004578  -0.111446  -0.020325   0.202397   0.201700
    26  H    0.004578   2.613265  -0.199526  -0.009217  -0.000284  -0.000169
    27  H   -0.111446  -0.199526   2.905289   0.013384  -0.045032  -0.046433
    28  H   -0.020325  -0.009217   0.013384   2.284335   0.001646   0.001691
    29  H    0.202397  -0.000284  -0.045032   0.001646   0.844621   0.015123
    30  H    0.201700  -0.000169  -0.046433   0.001691   0.015123   0.847108
    31  H    0.327911  -0.000301   0.096112  -0.001012  -0.271028  -0.272312
              31
     1  C   -0.001899
     2  C    0.000036
     3  C    0.000053
     4  C   -0.000000
     5  C   -0.000002
     6  C    0.000081
     7  C   -0.003223
     8  H    0.000001
     9  H    0.000000
    10  H    0.000002
    11  C    0.000000
    12  C   -0.000000
    13  C    0.000000
    14  H    0.000000
    15  H   -0.000000
    16  H    0.000000
    17  H   -0.000000
    18  O   -0.000000
    19  O   -0.000000
    20  H   -0.000000
    21  C    0.088063
    22  C    0.026644
    23  C    0.009889
    24  O   -0.300920
    25  C    0.327911
    26  H   -0.000301
    27  H    0.096112
    28  H   -0.001012
    29  H   -0.271028
    30  H   -0.272312
    31  H    2.071965
 Mulliken charges:
               1
     1  C   -0.550128
     2  C   -0.846705
     3  C   -0.158437
     4  C   -0.850105
     5  C   -0.377304
     6  C    0.224472
     7  C    0.097796
     8  H    0.300092
     9  H    0.091593
    10  H    0.578750
    11  C   -0.133546
    12  C    1.190841
    13  C    0.416310
    14  H    0.185747
    15  H   -0.001174
    16  H    0.058993
    17  H   -0.278939
    18  O   -0.460318
    19  O   -0.332898
    20  H    0.260690
    21  C    0.295563
    22  C    0.252312
    23  C   -0.208320
    24  O   -0.791810
    25  C    1.172745
    26  H    0.275879
    27  H   -0.018494
    28  H    0.120956
    29  H    0.128043
    30  H    0.127456
    31  H   -0.770059
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.550128
     2  C   -0.846705
     3  C    0.141655
     4  C   -0.850105
     5  C   -0.285711
     6  C    0.803222
     7  C    0.373675
    11  C    0.052201
    12  C    0.969721
    13  C    0.416310
    18  O   -0.460318
    19  O   -0.072208
    21  C    0.277069
    22  C    0.252312
    23  C   -0.087364
    24  O   -0.791810
    25  C    0.658185
 Electronic spatial extent (au):  <R**2>=           5533.3042
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.9058    Y=             -2.0853    Z=             -1.7938  Tot=              6.5149
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -114.5464   YY=            -92.8064   ZZ=           -105.9095
   XY=              1.7847   XZ=            -13.3397   YZ=             -2.1718
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.1257   YY=             11.6144   ZZ=             -1.4887
   XY=              1.7847   XZ=            -13.3397   YZ=             -2.1718
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -263.8255  YYY=              5.4930  ZZZ=              4.3270  XYY=              1.9171
  XXY=            -54.0170  XXZ=            -37.6541  XZZ=             -7.3337  YZZ=             -1.3881
  YYZ=              0.6303  XYZ=             -0.6198
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6443.9764 YYYY=           -733.3718 ZZZZ=           -428.2777 XXXY=             35.1834
 XXXZ=           -288.7175 YYYX=              2.0709 YYYZ=            -11.7809 ZZZX=            -14.9430
 ZZZY=              3.9776 XXYY=          -1122.1912 XXZZ=          -1147.9759 YYZZ=           -207.6050
 XXYZ=            -25.5961 YYXZ=              3.0052 ZZXY=             -2.8050
 N-N= 1.134140262514D+03 E-N=-4.050842966143D+03  KE= 7.590713613117D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:37:34 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30105515D+00-7.98510625D-01-6.74119362D-01
 Polarizability= 2.81298851D+02 1.06827401D+01 1.60190490D+02
                -1.41450210D+01-4.67206677D+00 1.10313295D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        8.1730    8.1735        7.4069    7.4110
 2     -8.1730   -8.1735        2.8186    2.8203      -71.8067  -71.7952
 3     -7.4069   -7.4110       99.9744   99.9699       -2.8214   -2.8203
 4     -2.8186   -2.8203       -0.0000    0.0000       -7.4113   -7.4110
 5    -28.1676  -28.1747        7.4113    7.4110        8.1737    8.1735
 6      2.8214    2.8203       -8.1737   -8.1735        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -24.5204  -24.5204       22.2329   22.2329
 2     -8.4609   -8.4609       -0.0000    0.0000       22.2329   22.2329
 3     -8.4609   -8.4609      -24.5204  -24.5204        0.0000    0.0000
 4    -24.5204  -24.5204        8.4609    8.4609     -215.3855 -215.3855
 5    -22.2329  -22.2329      299.9097  299.9097       -8.4609   -8.4609
 6    -84.5242  -84.5242       22.2329   22.2329       24.5204   24.5204
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0588    0.0000      -32.5056  -32.6939      -30.1832  -29.6439
 2     32.6962   32.6939      -11.1426  -11.2812      287.0916  287.1807
 3     29.8091   29.6439     -399.9359 -399.8796       11.2606   11.2812
 4     11.2693   11.2812       -0.0500    0.0000       29.5158   29.6439
 5    112.7188  112.6989      -29.6016  -29.6439      -32.7380  -32.6939
 6    -11.3122  -11.2812       32.6534   32.6939        0.0337    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0026    0.0000       58.7826   58.6937      -54.6318  -54.5682
 2    -58.4360  -58.6937       70.4952   70.3653      -12.4363  -12.2995
 3     54.8214   54.5682      -64.0098  -64.6059      -70.8741  -70.3653
 4    -70.3252  -70.3653       -0.1186    0.0000       54.6543   54.5682
 5     76.9289   76.9054      -54.6180  -54.5682       58.5963   58.6937
 6     70.4948   70.3653      -58.6946  -58.6937       -0.0287    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -22.1301  -22.1542       22.4726   22.4754       96.8244   96.9298
 2   -159.3666 -159.3756       66.4305   66.6472       97.0235   96.9298
 3   -159.4635 -159.3756       22.2762   22.4754      140.1238  140.0223
 4    -44.4818  -44.1718      137.4579  137.2214      -48.5852  -48.7004
 5     42.9539   43.0925      -72.6764  -72.9931     -137.2611 -137.2214
 6    121.7785  121.6934      -43.6281  -43.0925       43.9922   44.1718
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.1378   -0.0008   -0.0003    0.0002    0.7352    3.6300
 Low frequencies ---   23.0411   39.2424   46.1715
 Diagonal vibrational polarizability:
       38.1128795     165.5821799      49.1479423
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.0249                39.2329                46.1706
 Red. masses --      4.7650                 6.3482                 5.7964
 Frc consts  --      0.0015                 0.0058                 0.0073
 IR Inten    --      2.5808                 2.3412                 0.9175
 RamAct Fr= 1--      4.6350                 1.1670                 2.6468
  Dep-P Fr= 1--      0.7497                 0.7179                 0.7473
  Dep-U Fr= 1--      0.8570                 0.8358                 0.8554
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0001
 Beta2  Fr= 1--      0.6620                 0.1626                 0.3773
 AlphaG Fr= 1--     -0.0002                -0.0130                 0.0038
 Gamma2 Fr= 1--     -4.0160                 2.0747                -1.0682
 Delta2 Fr= 1--     -2.1693                 0.9199                 0.1041
 Raman1 Fr= 1--      18.540                  4.668                 10.587
 ROA1   Fr= 1--    -454.952                228.604                -99.217
 CID1   Fr= 1--     -24.539                 48.973                 -9.371
 Raman2 Fr= 1--       7.944                  1.951                  4.528
 ROA2   Fr= 1--     -79.030                 42.433                -26.470
 CID2   Fr= 1--      -9.948                 21.752                 -5.846
 Raman3 Fr= 1--      15.888                  3.901                  9.056
 ROA3   Fr= 1--    -454.952                228.604                -99.217
 CID3   Fr= 1--     -28.634                 58.594                -10.956
 RC180  Fr= 1--       0.714                  0.672                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.03     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     2   6     0.01  -0.02   0.08     0.02  -0.01  -0.09     0.01  -0.01  -0.04
     3   6    -0.03  -0.06  -0.05     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     4   6    -0.01  -0.07   0.03     0.02  -0.02  -0.09     0.01  -0.02  -0.05
     5   6     0.03  -0.05   0.14     0.03  -0.02  -0.09     0.02  -0.01   0.01
     6   6     0.04  -0.02   0.17     0.03  -0.02  -0.10     0.02  -0.01   0.02
     7   6    -0.05  -0.03  -0.13     0.01  -0.01  -0.10    -0.01  -0.03  -0.20
     8   1    -0.06  -0.08  -0.13     0.00  -0.03  -0.13    -0.01  -0.03  -0.19
     9   1     0.05  -0.06   0.20     0.03  -0.03  -0.07     0.02  -0.00   0.07
    10   1     0.06  -0.01   0.25     0.03  -0.01  -0.09     0.03  -0.00   0.09
    11   6    -0.01  -0.09  -0.01     0.02  -0.01   0.00     0.01  -0.02   0.02
    12   6    -0.03  -0.15   0.18     0.07  -0.03   0.08     0.04  -0.02   0.06
    13   6     0.04   0.09  -0.07    -0.09   0.03   0.06    -0.04   0.02   0.04
    14   1    -0.04  -0.18  -0.12     0.07  -0.03   0.02     0.04  -0.03   0.02
    15   1    -0.07  -0.29   0.22     0.13  -0.07   0.06     0.10  -0.04   0.03
    16   1    -0.00  -0.05   0.30     0.03  -0.01   0.09     0.01  -0.01   0.05
    17   1    -0.04  -0.17   0.14     0.08  -0.02   0.15     0.05  -0.02   0.12
    18   8     0.01   0.23  -0.15    -0.15   0.29   0.15     0.01  -0.21   0.09
    19   8     0.11   0.08  -0.03    -0.12  -0.27   0.01    -0.14   0.34   0.01
    20   1     0.11  -0.03   0.03    -0.08  -0.40  -0.06    -0.15   0.43  -0.04
    21   6    -0.05  -0.01  -0.11     0.02   0.01  -0.04    -0.00  -0.02  -0.13
    22   6    -0.01   0.01  -0.00     0.03   0.02   0.01     0.01  -0.01   0.00
    23   6     0.02   0.01   0.10     0.03   0.00  -0.03     0.02  -0.01   0.03
    24   8    -0.00   0.04   0.02     0.04   0.03   0.09     0.03   0.00   0.11
    25   6    -0.03   0.04  -0.09     0.06   0.06   0.25     0.04   0.01   0.20
    26   1    -0.08  -0.05  -0.21    -0.00  -0.01  -0.13    -0.02  -0.04  -0.29
    27   1    -0.07  -0.00  -0.19     0.01   0.02  -0.02    -0.01  -0.03  -0.17
    28   1     0.04   0.02   0.18     0.04   0.01  -0.00     0.03   0.00   0.12
    29   1    -0.06  -0.05  -0.14     0.17   0.09   0.24     0.15  -0.02   0.16
    30   1    -0.04   0.12  -0.16    -0.06   0.03   0.28    -0.08   0.04   0.19
    31   1    -0.02   0.06  -0.06     0.07   0.08   0.35     0.06   0.02   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --     75.0206               126.3846               135.3375
 Red. masses --      3.8525                 4.8461                 4.1046
 Frc consts  --      0.0128                 0.0456                 0.0443
 IR Inten    --      4.7790                 0.0247                 0.3415
 RamAct Fr= 1--      0.7499                 1.0314                 1.9317
  Dep-P Fr= 1--      0.7037                 0.7500                 0.3686
  Dep-U Fr= 1--      0.8261                 0.8571                 0.5387
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0159
 Beta2  Fr= 1--      0.1032                 0.1473                 0.1734
 AlphaG Fr= 1--      0.0121                -0.0003                -0.0309
 Gamma2 Fr= 1--      0.2241                 1.4870                -1.5404
 Delta2 Fr= 1--     -0.1322                 0.6907                -0.7552
 Raman1 Fr= 1--       3.000                  4.126                  7.727
 ROA1   Fr= 1--      17.282                164.852               -172.050
 CID1   Fr= 1--       5.761                 39.957                -22.267
 Raman2 Fr= 1--       1.239                  1.768                  2.081
 ROA2   Fr= 1--       6.436                 30.162                -30.929
 CID2   Fr= 1--       5.195                 17.059                -14.861
 Raman3 Fr= 1--       2.478                  3.536                  4.162
 ROA3   Fr= 1--      17.282                164.852               -172.050
 CID3   Fr= 1--       6.975                 46.617                -41.335
 RC180  Fr= 1--       0.652                  0.714                  0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.02   0.07  -0.09    -0.03  -0.10  -0.03
     2   6    -0.03   0.00  -0.03    -0.05   0.06  -0.13    -0.03  -0.09  -0.07
     3   6    -0.01   0.02   0.06    -0.01   0.09   0.01    -0.01  -0.09   0.05
     4   6    -0.01   0.02   0.09    -0.00   0.09   0.05    -0.01  -0.07   0.08
     5   6    -0.01   0.02   0.10    -0.03   0.07  -0.06    -0.03  -0.08  -0.01
     6   6    -0.02   0.01   0.03    -0.05   0.06  -0.16    -0.04  -0.09  -0.09
     7   6    -0.02   0.00  -0.04     0.01   0.04  -0.11    -0.08  -0.06  -0.05
     8   1    -0.01   0.02   0.06    -0.02   0.10   0.06     0.01  -0.08   0.09
     9   1    -0.01   0.03   0.14    -0.04   0.08  -0.08    -0.04  -0.08  -0.01
    10   1    -0.02   0.01   0.03    -0.05   0.05  -0.24    -0.05  -0.10  -0.14
    11   6    -0.01   0.02   0.04    -0.01   0.01   0.07     0.02   0.05   0.06
    12   6    -0.04   0.02   0.00    -0.14  -0.06   0.16     0.15   0.15  -0.12
    13   6     0.07  -0.01   0.00     0.07  -0.03   0.03     0.06   0.03   0.05
    14   1    -0.04   0.02   0.03     0.03  -0.07   0.03    -0.07   0.16   0.12
    15   1    -0.10   0.04   0.03    -0.22  -0.11   0.22     0.21   0.25  -0.17
    16   1    -0.01   0.01   0.01    -0.13   0.03   0.26     0.18   0.02  -0.24
    17   1    -0.05   0.01  -0.05    -0.15  -0.14   0.09     0.16   0.26  -0.08
    18   8     0.07  -0.01  -0.06     0.08  -0.07  -0.04     0.06   0.04  -0.01
    19   8     0.14  -0.04   0.04     0.15  -0.08   0.08     0.12   0.03   0.08
    20   1     0.12  -0.03   0.09     0.13  -0.03   0.13     0.11   0.00   0.12
    21   6    -0.03  -0.01  -0.10     0.01   0.01  -0.06    -0.08  -0.02  -0.04
    22   6    -0.04  -0.02  -0.13    -0.01   0.00   0.02    -0.04  -0.01   0.01
    23   6    -0.04  -0.01  -0.11    -0.06   0.03  -0.08    -0.01  -0.05  -0.06
    24   8    -0.05  -0.03  -0.20    -0.01  -0.04   0.23     0.00   0.09   0.14
    25   6     0.01   0.02   0.27     0.02  -0.13  -0.03    -0.10   0.16  -0.03
    26   1    -0.02   0.00  -0.02     0.04   0.05  -0.13    -0.12  -0.08  -0.05
    27   1    -0.03  -0.02  -0.13     0.04  -0.01  -0.05    -0.10  -0.00  -0.03
    28   1    -0.04  -0.01  -0.13    -0.09   0.02  -0.06     0.03  -0.04  -0.06
    29   1     0.24   0.26   0.36     0.02  -0.38  -0.17    -0.16  -0.02  -0.11
    30   1    -0.18  -0.19   0.46     0.05   0.09  -0.22    -0.17   0.30  -0.15
    31   1     0.02   0.03   0.35     0.00  -0.18   0.10    -0.04   0.25   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.6031               216.1434               224.7308
 Red. masses --      3.2054                 2.6259                 2.9879
 Frc consts  --      0.0630                 0.0723                 0.0889
 IR Inten    --      1.0684                 1.2850                 3.6357
 RamAct Fr= 1--      0.0757                 4.1412                 0.6378
  Dep-P Fr= 1--      0.7368                 0.4179                 0.7048
  Dep-U Fr= 1--      0.8484                 0.5895                 0.8269
 Alpha2 Fr= 1--      0.0000                 0.0287                 0.0005
 Beta2  Fr= 1--      0.0107                 0.4069                 0.0879
 AlphaG Fr= 1--     -0.0008                -0.0711                -0.0067
 Gamma2 Fr= 1--      0.1730                -1.3182                -0.5720
 Delta2 Fr= 1--     -0.0638                -0.3589                -0.1426
 Raman1 Fr= 1--       0.303                 16.565                  2.551
 ROA1   Fr= 1--      14.565               -138.028                -59.478
 CID1   Fr= 1--      48.105                 -8.333                -23.314
 Raman2 Fr= 1--       0.128                  4.882                  1.055
 ROA2   Fr= 1--       4.663                -28.765                -12.588
 CID2   Fr= 1--      36.302                 -5.892                -11.935
 Raman3 Fr= 1--       0.257                  9.765                  2.110
 ROA3   Fr= 1--      14.565               -138.028                -59.478
 CID3   Fr= 1--      56.699                -14.135                -28.195
 RC180  Fr= 1--       0.697                  0.179                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.15    -0.02   0.00  -0.05     0.05  -0.05   0.00
     2   6    -0.02  -0.02  -0.13    -0.03   0.01   0.05     0.02  -0.06   0.00
     3   6    -0.02  -0.02  -0.19    -0.01   0.01  -0.10     0.06   0.04  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.00   0.10  -0.01
     5   6     0.02   0.02   0.20    -0.04   0.01  -0.11    -0.04   0.08   0.00
     6   6     0.00   0.01   0.06    -0.04   0.00  -0.04    -0.05   0.00   0.01
     7   6     0.00   0.01   0.05    -0.02   0.00  -0.04     0.07  -0.08   0.00
     8   1    -0.04  -0.03  -0.29    -0.01   0.01  -0.11     0.13   0.06  -0.02
     9   1     0.04   0.05   0.42    -0.06   0.01  -0.18    -0.07   0.12   0.00
    10   1     0.01   0.02   0.17    -0.04  -0.00  -0.04    -0.13  -0.02   0.02
    11   6     0.00   0.00   0.01     0.02   0.05   0.01    -0.01   0.08  -0.02
    12   6     0.01   0.00   0.01     0.12   0.03   0.12    -0.12   0.02   0.08
    13   6     0.01   0.00   0.00     0.04   0.01   0.01    -0.01   0.02  -0.02
    14   1     0.00   0.00   0.01     0.04   0.03   0.00     0.02   0.03  -0.06
    15   1     0.02  -0.01   0.01     0.22  -0.07   0.10    -0.39  -0.14   0.25
    16   1     0.01   0.01   0.02     0.10   0.07   0.16     0.09   0.13   0.29
    17   1     0.01   0.01   0.02     0.14   0.08   0.23    -0.15   0.00  -0.20
    18   8     0.01  -0.01  -0.00     0.06  -0.06  -0.01     0.01  -0.04   0.01
    19   8     0.02   0.00   0.01     0.07  -0.05   0.02    -0.03  -0.03  -0.04
    20   1     0.02  -0.00   0.01     0.06   0.00   0.03    -0.03   0.03  -0.07
    21   6     0.02   0.02   0.21    -0.02  -0.00   0.03     0.05  -0.11   0.00
    22   6    -0.00   0.00   0.02    -0.03  -0.00   0.07     0.04  -0.11   0.00
    23   6    -0.03  -0.02  -0.16    -0.02   0.01   0.16     0.03  -0.11  -0.00
    24   8    -0.00   0.00   0.03    -0.05  -0.01  -0.07     0.08   0.01  -0.01
    25   6    -0.01   0.00  -0.02    -0.07   0.02   0.01    -0.09   0.20  -0.01
    26   1     0.01   0.02   0.15    -0.03  -0.00  -0.09     0.09  -0.07   0.00
    27   1     0.05   0.05   0.45    -0.02  -0.01   0.03     0.04  -0.12   0.00
    28   1    -0.03  -0.03  -0.24    -0.02   0.01   0.21    -0.00  -0.12   0.00
    29   1    -0.18   0.16   0.10    -0.27   0.34   0.23    -0.19   0.16  -0.01
    30   1     0.18  -0.13   0.09     0.16  -0.26   0.24    -0.23   0.21  -0.01
    31   1    -0.04  -0.02  -0.29    -0.10  -0.00  -0.41     0.01   0.38  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    241.8139               260.2717               278.4455
 Red. masses --      1.6769                 1.2135                 2.2803
 Frc consts  --      0.0578                 0.0484                 0.1042
 IR Inten    --      0.7691                 1.0767                 2.7400
 RamAct Fr= 1--      1.8719                 0.5578                 1.3865
  Dep-P Fr= 1--      0.4481                 0.2992                 0.7178
  Dep-U Fr= 1--      0.6189                 0.4606                 0.8357
 Alpha2 Fr= 1--      0.0116                 0.0057                 0.0008
 Beta2  Fr= 1--      0.1931                 0.0428                 0.1931
 AlphaG Fr= 1--     -0.0464                 0.0161                 0.0106
 Gamma2 Fr= 1--      0.9726                 0.1238                 1.5920
 Delta2 Fr= 1--      0.0976                 0.1491                 0.3159
 Raman1 Fr= 1--       7.488                  2.231                  5.546
 ROA1   Fr= 1--      96.491                 16.651                162.940
 CID1   Fr= 1--      12.887                  7.463                 29.379
 Raman2 Fr= 1--       2.317                  0.514                  2.318
 ROA2   Fr= 1--      22.561                  1.778                 35.680
 CID2   Fr= 1--       9.737                  3.459                 15.395
 Raman3 Fr= 1--       4.634                  1.028                  4.635
 ROA3   Fr= 1--      96.491                 16.651                162.940
 CID3   Fr= 1--      20.822                 16.203                 35.153
 RC180  Fr= 1--       0.238                 -0.079                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01  -0.00   0.01     0.01   0.02   0.08
     2   6    -0.02   0.01   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     3   6    -0.00   0.01  -0.03    -0.00  -0.02   0.04     0.02   0.03   0.13
     4   6     0.00   0.00  -0.04    -0.00  -0.02   0.02     0.01   0.02   0.02
     5   6    -0.01   0.01   0.02     0.00  -0.02   0.01     0.00   0.02   0.05
     6   6    -0.01   0.01   0.04     0.01  -0.01   0.00     0.00   0.01   0.05
     7   6    -0.01   0.02   0.06    -0.02   0.01  -0.01     0.01   0.00  -0.01
     8   1    -0.01   0.00  -0.04     0.00  -0.02   0.06     0.03   0.03   0.18
     9   1    -0.01   0.02   0.04     0.01  -0.03   0.01    -0.00   0.03   0.06
    10   1     0.00   0.01   0.07     0.02  -0.01  -0.01     0.00   0.02   0.06
    11   6     0.02   0.03  -0.04    -0.00   0.01  -0.01     0.01   0.01  -0.05
    12   6     0.14   0.01   0.09     0.05   0.02   0.00     0.08  -0.01   0.06
    13   6     0.01   0.01  -0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.06
    14   1     0.01   0.01  -0.06    -0.04   0.03  -0.02    -0.01  -0.01  -0.08
    15   1     0.18  -0.14   0.10    -0.35  -0.21   0.26     0.39  -0.00  -0.10
    16   1     0.19   0.06   0.17     0.54   0.05   0.26    -0.19   0.01  -0.03
    17   1     0.15   0.11   0.13     0.01   0.22  -0.49     0.12  -0.05   0.43
    18   8     0.02  -0.05  -0.01    -0.00  -0.01   0.01    -0.00  -0.03  -0.02
    19   8    -0.01  -0.04  -0.06    -0.03  -0.01  -0.03    -0.06  -0.03  -0.10
    20   1    -0.01   0.00  -0.08    -0.03   0.01  -0.05    -0.05   0.01  -0.15
    21   6    -0.01   0.01   0.03    -0.02   0.03  -0.03    -0.01  -0.02  -0.10
    22   6    -0.03   0.00  -0.02    -0.01   0.03  -0.01    -0.01  -0.02  -0.06
    23   6    -0.03   0.00  -0.03    -0.00   0.02  -0.02    -0.02  -0.02  -0.12
    24   8    -0.04  -0.01  -0.02    -0.01   0.01   0.03     0.01   0.00   0.11
    25   6    -0.03  -0.01   0.00     0.03  -0.04   0.00    -0.03   0.01   0.01
    26   1    -0.01   0.02   0.09    -0.04   0.00  -0.02     0.02   0.01  -0.01
    27   1    -0.01   0.01   0.02    -0.02   0.03  -0.03    -0.00  -0.03  -0.12
    28   1    -0.03   0.00  -0.06     0.02   0.03  -0.03    -0.04  -0.02  -0.14
    29   1     0.24  -0.33  -0.23    -0.03   0.06   0.07    -0.28   0.21   0.17
    30   1    -0.36   0.26  -0.23     0.18  -0.11   0.06     0.23  -0.15   0.15
    31   1     0.03   0.04   0.50    -0.01  -0.10  -0.15    -0.06  -0.00  -0.37
                     13                     14                     15
                      A                      A                      A
 Frequencies --    310.4011               346.1441               390.2970
 Red. masses --      4.8215                 4.1969                 5.1554
 Frc consts  --      0.2737                 0.2963                 0.4627
 IR Inten    --      4.9110                 5.1688                 2.0464
 RamAct Fr= 1--     18.4751                 2.1138                 0.9287
  Dep-P Fr= 1--      0.1815                 0.7385                 0.3883
  Dep-U Fr= 1--      0.3072                 0.8496                 0.5594
 Alpha2 Fr= 1--      0.2634                 0.0004                 0.0072
 Beta2  Fr= 1--      0.9459                 0.2993                 0.0866
 AlphaG Fr= 1--      0.1881                 0.0111                 0.0637
 Gamma2 Fr= 1--      2.9915                -3.4352                -0.2102
 Delta2 Fr= 1--      0.7473                -0.9521                -0.1025
 Raman1 Fr= 1--      73.900                  8.455                  3.715
 ROA1   Fr= 1--     311.095               -360.250                -23.462
 CID1   Fr= 1--       4.210                -42.607                 -6.315
 Raman2 Fr= 1--      11.351                  3.592                  1.039
 ROA2   Fr= 1--      65.817                -74.828                 -4.225
 CID2   Fr= 1--       5.798                -20.835                 -4.066
 Raman3 Fr= 1--      22.702                  7.183                  2.078
 ROA3   Fr= 1--     311.095               -360.250                -23.462
 CID3   Fr= 1--      13.703                -50.153                -11.289
 RC180  Fr= 1--      -0.386                  0.699                  0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.00    -0.01  -0.12  -0.01    -0.03   0.05  -0.09
     2   6     0.03  -0.07   0.00    -0.01  -0.12   0.00    -0.01   0.05  -0.13
     3   6    -0.04  -0.06   0.00     0.04  -0.05  -0.00    -0.03   0.00   0.12
     4   6    -0.11   0.01   0.02     0.03   0.01   0.03    -0.00  -0.02   0.27
     5   6    -0.07   0.01   0.01    -0.04  -0.02   0.02     0.04  -0.01   0.20
     6   6    -0.05  -0.02   0.00    -0.05  -0.10  -0.02     0.01   0.02  -0.25
     7   6    -0.02  -0.07   0.01    -0.10  -0.05   0.00     0.02   0.01  -0.11
     8   1     0.03  -0.04  -0.01     0.07  -0.04  -0.02    -0.08  -0.01   0.10
     9   1    -0.05  -0.01   0.00    -0.08   0.02   0.03     0.10  -0.04   0.30
    10   1    -0.12  -0.04   0.01    -0.12  -0.12  -0.04     0.03   0.01  -0.46
    11   6    -0.15   0.10   0.03     0.08   0.11  -0.04    -0.03  -0.02   0.03
    12   6     0.00   0.14   0.13    -0.14   0.05   0.04     0.05   0.01   0.02
    13   6    -0.14   0.03  -0.02     0.13   0.07  -0.04    -0.00  -0.00  -0.07
    14   1    -0.17   0.13   0.05     0.02   0.07  -0.13    -0.16  -0.00  -0.04
    15   1     0.20   0.06   0.05    -0.10   0.11   0.00     0.16   0.01  -0.04
    16   1    -0.07   0.14   0.10    -0.41   0.16   0.04     0.03  -0.03  -0.03
    17   1     0.03   0.22   0.34    -0.15  -0.24   0.16     0.07   0.09   0.12
    18   8    -0.11  -0.09  -0.19     0.14   0.01   0.17    -0.00  -0.00  -0.04
    19   8     0.01  -0.05   0.07    -0.03  -0.03  -0.17    -0.10  -0.02  -0.14
    20   1    -0.03   0.03   0.17    -0.00   0.04  -0.32    -0.08  -0.00  -0.24
    21   6     0.00   0.01   0.01    -0.08   0.07   0.02     0.04  -0.03   0.08
    22   6     0.10   0.04  -0.01    -0.04   0.09   0.02     0.05  -0.02   0.15
    23   6     0.09   0.00  -0.00     0.03   0.01   0.03     0.02   0.03   0.18
    24   8     0.13   0.09  -0.03    -0.04   0.09  -0.02     0.03  -0.06  -0.10
    25   6     0.26  -0.01  -0.03     0.10  -0.06  -0.01    -0.02   0.02  -0.01
    26   1    -0.06  -0.08   0.01    -0.22  -0.08   0.02     0.08   0.02  -0.18
    27   1    -0.04   0.06   0.01    -0.10   0.10   0.02     0.05  -0.04   0.05
    28   1     0.13   0.01  -0.01     0.14   0.05   0.02    -0.04   0.01   0.25
    29   1     0.36  -0.01  -0.05     0.24  -0.06  -0.03     0.01  -0.00  -0.04
    30   1     0.34   0.00  -0.05     0.20  -0.04  -0.03    -0.16   0.03  -0.02
    31   1     0.19  -0.14   0.01     0.02  -0.22   0.05     0.03   0.10   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.1449               440.1516               456.1227
 Red. masses --      3.3249                 4.9822                 4.4401
 Frc consts  --      0.3409                 0.5687                 0.5443
 IR Inten    --      0.2164                 2.1830                 5.2406
 RamAct Fr= 1--      1.9669                 0.9020                 1.3036
  Dep-P Fr= 1--      0.7409                 0.6996                 0.7490
  Dep-U Fr= 1--      0.8512                 0.8233                 0.8565
 Alpha2 Fr= 1--      0.0003                 0.0008                 0.0000
 Beta2  Fr= 1--      0.2790                 0.1238                 0.1861
 AlphaG Fr= 1--      0.0011                 0.0074                 0.0021
 Gamma2 Fr= 1--     -0.7572                -0.3754                -1.0268
 Delta2 Fr= 1--      0.0650                -0.0389                -0.0118
 Raman1 Fr= 1--       7.868                  3.608                  5.215
 ROA1   Fr= 1--     -70.609                -37.285                -98.946
 CID1   Fr= 1--      -8.975                -10.334                -18.975
 Raman2 Fr= 1--       3.348                  1.485                  2.233
 ROA2   Fr= 1--     -18.692                 -8.698                -24.548
 CID2   Fr= 1--      -5.582                 -5.857                -10.993
 Raman3 Fr= 1--       6.697                  2.970                  4.466
 ROA3   Fr= 1--     -70.609                -37.285                -98.946
 CID3   Fr= 1--     -10.544                -12.552                -22.155
 RC180  Fr= 1--       0.702                  0.647                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.09    -0.12   0.05   0.01     0.08  -0.12   0.00
     2   6    -0.00  -0.01  -0.03    -0.12   0.05   0.02     0.02  -0.15  -0.03
     3   6    -0.02  -0.01  -0.17    -0.12   0.10   0.00     0.16   0.11   0.04
     4   6     0.00   0.01   0.00    -0.06   0.05  -0.00     0.08   0.18  -0.00
     5   6     0.01   0.02   0.13    -0.13   0.08  -0.00    -0.00   0.19   0.06
     6   6    -0.02  -0.02  -0.16    -0.15   0.06   0.02    -0.08  -0.06  -0.04
     7   6     0.03   0.02   0.24    -0.03  -0.04   0.01    -0.03  -0.05  -0.04
     8   1    -0.04  -0.03  -0.40    -0.12   0.10   0.00     0.34   0.17   0.03
     9   1     0.02   0.04   0.26    -0.18   0.11  -0.02    -0.12   0.31   0.13
    10   1    -0.05  -0.04  -0.32    -0.18   0.06   0.03    -0.27  -0.12  -0.04
    11   6     0.00  -0.00  -0.00     0.01  -0.14  -0.02     0.04  -0.09  -0.01
    12   6     0.00  -0.00  -0.00     0.12  -0.16  -0.08     0.09  -0.13  -0.05
    13   6    -0.00  -0.00   0.00     0.09  -0.05   0.00    -0.06  -0.09   0.01
    14   1     0.02  -0.01   0.00     0.01  -0.16  -0.04     0.20  -0.13   0.05
    15   1     0.00  -0.01  -0.00     0.16  -0.18  -0.09     0.13  -0.14  -0.07
    16   1     0.01  -0.00   0.00     0.24  -0.24  -0.11     0.17  -0.20  -0.08
    17   1     0.00   0.00  -0.01     0.13   0.01  -0.10     0.10  -0.02  -0.04
    18   8    -0.00  -0.00  -0.00     0.07   0.05   0.12    -0.08   0.01  -0.09
    19   8     0.01   0.01   0.01     0.04   0.03  -0.03    -0.02   0.03   0.06
    20   1     0.01  -0.04   0.02     0.06  -0.06  -0.07    -0.01  -0.10   0.12
    21   6    -0.03  -0.02  -0.20    -0.05  -0.13   0.02    -0.02   0.08   0.02
    22   6    -0.01  -0.01  -0.10     0.04  -0.10   0.00    -0.07   0.08   0.06
    23   6     0.01   0.01   0.10    -0.08  -0.04   0.01     0.03  -0.04   0.03
    24   8     0.00   0.01   0.05     0.13   0.09  -0.02    -0.11   0.08  -0.02
    25   6     0.00   0.00   0.01     0.23   0.08  -0.04    -0.02  -0.04   0.00
    26   1     0.05   0.05   0.46     0.08  -0.01  -0.01    -0.18  -0.09  -0.07
    27   1    -0.04  -0.03  -0.33    -0.04  -0.14   0.02    -0.03   0.07  -0.02
    28   1     0.04   0.03   0.30    -0.22  -0.09   0.02     0.19   0.01  -0.01
    29   1    -0.05   0.04   0.04     0.29   0.07  -0.05     0.08  -0.03  -0.01
    30   1     0.08  -0.03   0.03     0.29   0.08  -0.04     0.05  -0.03  -0.01
    31   1    -0.01  -0.02  -0.09     0.17  -0.02  -0.02    -0.08  -0.16   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.7510               535.7155               566.0997
 Red. masses --      2.5631                 6.4751                 3.5671
 Frc consts  --      0.3549                 1.0949                 0.6735
 IR Inten    --     14.3492                 0.4344                 9.1614
 RamAct Fr= 1--      0.2336                21.5717                 3.7230
  Dep-P Fr= 1--      0.3904                 0.3592                 0.5422
  Dep-U Fr= 1--      0.5616                 0.5285                 0.7032
 Alpha2 Fr= 1--      0.0018                 0.1838                 0.0149
 Beta2  Fr= 1--      0.0219                 1.9002                 0.4363
 AlphaG Fr= 1--      0.0057                 0.1260                 0.0863
 Gamma2 Fr= 1--     -0.4343                -0.2242                 0.5767
 Delta2 Fr= 1--      0.0162                -0.3642                 0.8386
 Raman1 Fr= 1--       0.934                 86.287                 14.892
 ROA1   Fr= 1--     -41.177                -33.181                 82.198
 CID1   Fr= 1--     -44.071                 -0.385                  5.520
 Raman2 Fr= 1--       0.262                 22.802                  5.236
 ROA2   Fr= 1--     -10.554                 -2.468                  7.131
 CID2   Fr= 1--     -40.230                 -0.108                  1.362
 Raman3 Fr= 1--       0.525                 45.604                 10.471
 ROA3   Fr= 1--     -41.177                -33.181                 82.198
 CID3   Fr= 1--     -78.480                 -0.728                  7.850
 RC180  Fr= 1--       0.123                  0.057                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.21    -0.12  -0.02   0.02     0.06   0.08   0.07
     2   6     0.02   0.02   0.19     0.14   0.05  -0.01    -0.06   0.02  -0.12
     3   6    -0.01  -0.02  -0.12    -0.07   0.11  -0.01     0.05  -0.03   0.06
     4   6     0.00   0.00   0.03     0.03   0.07  -0.00     0.05  -0.08  -0.17
     5   6     0.01   0.00   0.05     0.29   0.13  -0.05     0.00  -0.09   0.09
     6   6    -0.01  -0.01  -0.10     0.27   0.09  -0.04    -0.00  -0.02  -0.05
     7   6    -0.01  -0.01  -0.10    -0.24  -0.05   0.03     0.05   0.08  -0.02
     8   1    -0.06  -0.05  -0.45     0.01   0.13  -0.03    -0.03  -0.04   0.20
     9   1    -0.00  -0.01  -0.05     0.37   0.06  -0.07     0.04  -0.05   0.39
    10   1    -0.05  -0.05  -0.42     0.26   0.09  -0.05     0.12   0.03   0.14
    11   6    -0.00   0.00  -0.00     0.01   0.02   0.02     0.06   0.06  -0.11
    12   6    -0.00   0.00   0.00    -0.01   0.05   0.02    -0.02   0.02  -0.01
    13   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.05   0.04  -0.00
    14   1    -0.00   0.00   0.00     0.03   0.03   0.03     0.11   0.07  -0.07
    15   1     0.00  -0.01   0.00    -0.04   0.08   0.03    -0.08  -0.04   0.04
    16   1     0.00   0.01   0.01    -0.02   0.05   0.01    -0.12   0.15   0.09
    17   1    -0.00   0.01   0.00    -0.02   0.03  -0.00    -0.03  -0.15  -0.01
    18   8     0.00  -0.00   0.00    -0.00  -0.00  -0.04    -0.04  -0.02   0.02
    19   8    -0.00   0.01   0.00    -0.02  -0.01  -0.01     0.05  -0.01   0.07
    20   1     0.01  -0.08   0.00    -0.02   0.01  -0.04    -0.02   0.21   0.19
    21   6     0.01   0.01   0.05    -0.29  -0.19   0.05    -0.00  -0.07  -0.01
    22   6     0.01   0.01   0.07    -0.06  -0.12   0.01    -0.07  -0.05   0.17
    23   6    -0.01  -0.01  -0.12     0.06  -0.17   0.01    -0.08  -0.09   0.03
    24   8    -0.00  -0.00  -0.01    -0.03   0.05   0.00    -0.06   0.12  -0.04
    25   6    -0.00  -0.00  -0.00     0.04  -0.03  -0.00     0.06   0.03  -0.02
    26   1    -0.05  -0.05  -0.46    -0.18  -0.03   0.03     0.10   0.08  -0.23
    27   1    -0.01  -0.01  -0.12    -0.28  -0.19   0.06     0.09  -0.22  -0.30
    28   1    -0.06  -0.05  -0.48    -0.07  -0.21   0.03    -0.17  -0.13  -0.09
    29   1     0.00   0.01   0.00     0.12  -0.02  -0.01     0.20   0.04  -0.03
    30   1    -0.01  -0.01   0.00     0.12  -0.02  -0.01     0.17   0.02  -0.02
    31   1    -0.00   0.00   0.00    -0.02  -0.14   0.02    -0.04  -0.15   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.4928               599.0971               621.9965
 Red. masses --      4.0554                 1.1580                 4.1644
 Frc consts  --      0.7831                 0.2449                 0.9492
 IR Inten    --     12.6870                43.8742                 5.1561
 RamAct Fr= 1--      6.5358                 1.3792                 1.2415
  Dep-P Fr= 1--      0.2457                 0.6452                 0.7466
  Dep-U Fr= 1--      0.3945                 0.7843                 0.8549
 Alpha2 Fr= 1--      0.0784                 0.0026                 0.0001
 Beta2  Fr= 1--      0.4297                 0.1803                 0.1769
 AlphaG Fr= 1--     -0.1720                -0.1170                 0.0024
 Gamma2 Fr= 1--      1.5340                -1.0911                 0.0500
 Delta2 Fr= 1--     -0.4620                 0.6641                 0.4223
 Raman1 Fr= 1--      26.143                  5.517                  4.966
 ROA1   Fr= 1--     132.475                -83.489                 18.311
 CID1   Fr= 1--       5.067                -15.133                  3.687
 Raman2 Fr= 1--       5.156                  2.164                  2.123
 ROA2   Fr= 1--      40.511                -31.498                 -2.179
 CID2   Fr= 1--       7.857                -14.559                 -1.027
 Raman3 Fr= 1--      10.313                  4.327                  4.245
 ROA3   Fr= 1--     132.475                -83.489                 18.311
 CID3   Fr= 1--      12.846                -19.295                  4.313
 RC180  Fr= 1--      -0.211                  0.569                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.09     0.01  -0.00  -0.01     0.08  -0.01  -0.05
     2   6    -0.03   0.02   0.11     0.01   0.00   0.03     0.12   0.01   0.04
     3   6     0.07  -0.03  -0.05     0.00  -0.00  -0.02     0.04  -0.11   0.04
     4   6     0.08  -0.02   0.14     0.01   0.00   0.03    -0.10  -0.01   0.07
     5   6    -0.03  -0.07  -0.05     0.00   0.01   0.00    -0.03   0.04   0.02
     6   6    -0.02  -0.01   0.04    -0.00   0.00  -0.00     0.00   0.14  -0.03
     7   6     0.10   0.10  -0.02     0.00  -0.00  -0.01     0.03   0.08  -0.06
     8   1    -0.01  -0.06  -0.15     0.01   0.00  -0.01     0.07  -0.10  -0.07
     9   1    -0.08  -0.08  -0.30    -0.01  -0.00  -0.07     0.06  -0.07  -0.13
    10   1     0.03  -0.01  -0.15    -0.02  -0.01  -0.09    -0.06   0.10  -0.21
    11   6     0.06  -0.01   0.13     0.00  -0.02   0.00    -0.15  -0.00  -0.16
    12   6    -0.01   0.04   0.03     0.01  -0.03  -0.02    -0.00  -0.04  -0.03
    13   6     0.02  -0.05   0.03    -0.01   0.03  -0.00    -0.05   0.05  -0.10
    14   1     0.05   0.03   0.16    -0.02  -0.03  -0.03    -0.26  -0.03  -0.25
    15   1    -0.07   0.16   0.03     0.01   0.01  -0.03     0.16  -0.25  -0.07
    16   1    -0.02  -0.01  -0.03     0.01  -0.05  -0.04     0.05  -0.00   0.04
    17   1    -0.02  -0.01  -0.03     0.01  -0.01  -0.02     0.03   0.12   0.12
    18   8     0.01   0.01  -0.12    -0.01   0.02   0.00    -0.06  -0.04   0.18
    19   8    -0.11   0.01  -0.04     0.01  -0.07   0.01     0.14   0.03  -0.00
    20   1    -0.03  -0.27  -0.19    -0.15   0.97   0.01     0.12  -0.25   0.29
    21   6     0.03  -0.06   0.02     0.00  -0.00   0.01     0.01   0.00   0.04
    22   6    -0.13  -0.08  -0.12    -0.01  -0.00  -0.03    -0.06  -0.03  -0.11
    23   6    -0.08  -0.11   0.02     0.00  -0.01   0.00     0.09  -0.11   0.02
    24   8    -0.09   0.17   0.03    -0.01   0.01   0.01    -0.07   0.06   0.02
    25   6     0.06   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    26   1     0.17   0.13   0.14     0.01   0.00   0.03     0.05   0.09   0.09
    27   1     0.22  -0.18   0.28     0.02  -0.00   0.07     0.12  -0.05   0.30
    28   1    -0.11  -0.12   0.14     0.01  -0.00   0.02     0.14  -0.09   0.17
    29   1     0.20   0.02  -0.03     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    30   1     0.23   0.04  -0.03     0.01   0.00  -0.00     0.04  -0.01  -0.01
    31   1    -0.07  -0.20   0.03    -0.01  -0.01   0.00    -0.08  -0.11   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    644.0907               691.0470               715.7436
 Red. masses --      3.6662                 4.6143                 3.8806
 Frc consts  --      0.8961                 1.2983                 1.1713
 IR Inten    --      1.3807                 5.5599                 5.3658
 RamAct Fr= 1--      0.7005                 2.0760                 2.4242
  Dep-P Fr= 1--      0.6690                 0.2024                 0.2543
  Dep-U Fr= 1--      0.8017                 0.3367                 0.4054
 Alpha2 Fr= 1--      0.0010                 0.0280                 0.0284
 Beta2  Fr= 1--      0.0936                 0.1165                 0.1638
 AlphaG Fr= 1--     -0.0356                 0.1000                 0.0820
 Gamma2 Fr= 1--      1.2237                -0.7445                -1.1680
 Delta2 Fr= 1--      0.3928                -0.5869                -0.3368
 Raman1 Fr= 1--       2.802                  8.304                  9.697
 ROA1   Fr= 1--     130.044                -90.257               -122.903
 CID1   Fr= 1--      46.409                -10.869                -12.675
 Raman2 Fr= 1--       1.123                  1.398                  1.966
 ROA2   Fr= 1--      26.227                -13.173                -25.336
 CID2   Fr= 1--      23.349                 -9.423                -12.890
 Raman3 Fr= 1--       2.247                  2.796                  3.931
 ROA3   Fr= 1--     130.044                -90.257               -122.903
 CID3   Fr= 1--      57.887                -32.280                -31.263
 RC180  Fr= 1--       0.603                 -0.327                 -0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.00    -0.06  -0.01  -0.08     0.02   0.02  -0.12
     2   6     0.09  -0.01  -0.10    -0.07  -0.03  -0.01    -0.00   0.01   0.01
     3   6     0.01  -0.11  -0.06    -0.07   0.13  -0.06     0.08  -0.04  -0.02
     4   6    -0.11  -0.01   0.03     0.03   0.05   0.19     0.10   0.01   0.18
     5   6    -0.07   0.05  -0.08     0.13  -0.02  -0.08    -0.08  -0.04  -0.01
     6   6    -0.03   0.16   0.05     0.10  -0.16   0.09    -0.05   0.03   0.08
     7   6     0.03   0.07   0.09     0.13  -0.13   0.10    -0.11   0.16   0.07
     8   1     0.08  -0.09   0.02    -0.06   0.12  -0.18     0.03  -0.07  -0.19
     9   1     0.03  -0.03   0.01     0.04  -0.01  -0.39    -0.17  -0.04  -0.44
    10   1    -0.06   0.16   0.29     0.12  -0.16   0.00    -0.05   0.01  -0.17
    11   6    -0.10  -0.07   0.14    -0.09  -0.02  -0.04     0.13   0.06  -0.11
    12   6    -0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03  -0.03  -0.03
    13   6     0.07  -0.02   0.03    -0.06   0.04  -0.09    -0.05  -0.03  -0.04
    14   1    -0.13  -0.10   0.09    -0.21  -0.03  -0.12     0.11   0.13  -0.05
    15   1     0.05   0.11  -0.04     0.08  -0.06  -0.03    -0.03  -0.14   0.03
    16   1     0.12  -0.19  -0.13     0.05  -0.01  -0.00    -0.12   0.17   0.12
    17   1     0.01   0.19  -0.00     0.01   0.16   0.07     0.01  -0.26   0.01
    18   8     0.07   0.03  -0.01    -0.06  -0.03   0.09    -0.08  -0.01  -0.01
    19   8    -0.04  -0.02  -0.06     0.08   0.01  -0.04     0.02   0.01   0.04
    20   1    -0.03   0.14  -0.23     0.04  -0.03   0.18    -0.01  -0.00   0.18
    21   6    -0.01   0.01  -0.08     0.12  -0.04  -0.09    -0.15   0.02  -0.06
    22   6     0.00   0.02   0.21    -0.01   0.04   0.16     0.03  -0.01   0.13
    23   6     0.09  -0.10  -0.05    -0.09   0.06  -0.05     0.01  -0.04  -0.04
    24   8    -0.05   0.03  -0.03    -0.08   0.09  -0.02     0.10  -0.11  -0.02
    25   6    -0.04  -0.02   0.00    -0.01   0.01  -0.00     0.04   0.01  -0.01
    26   1    -0.00   0.05  -0.09     0.18  -0.12   0.09    -0.15   0.16   0.18
    27   1    -0.00  -0.09  -0.51     0.09  -0.07  -0.35    -0.16   0.01  -0.20
    28   1     0.11  -0.11  -0.31    -0.11   0.04  -0.25    -0.05  -0.07  -0.20
    29   1     0.01  -0.00   0.00     0.09   0.02  -0.01    -0.06   0.01   0.01
    30   1    -0.01  -0.04   0.01     0.07   0.00  -0.00    -0.07  -0.00   0.01
    31   1    -0.06  -0.07   0.00    -0.08  -0.12   0.02     0.12   0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    751.0296               769.7664               784.4519
 Red. masses --      4.8895                 4.5711                 2.6607
 Frc consts  --      1.6249                 1.5958                 0.9647
 IR Inten    --      4.1454                 7.9117                 4.3399
 RamAct Fr= 1--      1.8202                72.1813                 6.4518
  Dep-P Fr= 1--      0.7474                 0.0791                 0.0604
  Dep-U Fr= 1--      0.8555                 0.1466                 0.1139
 Alpha2 Fr= 1--      0.0001                 1.3296                 0.1243
 Beta2  Fr= 1--      0.2595                 1.7640                 0.1225
 AlphaG Fr= 1--      0.0133                 0.0225                -0.1767
 Gamma2 Fr= 1--      3.9527                 1.1890                -0.1381
 Delta2 Fr= 1--     -0.4337                -0.4119                 0.5793
 Raman1 Fr= 1--       7.281                288.725                 25.807
 ROA1   Fr= 1--     365.577                100.965                  5.280
 CID1   Fr= 1--      50.210                  0.350                  0.205
 Raman2 Fr= 1--       3.114                 21.168                  1.470
 ROA2   Fr= 1--      98.334                 31.832                 -7.948
 CID2   Fr= 1--      31.575                  1.504                 -5.406
 Raman3 Fr= 1--       6.229                 42.335                  2.941
 ROA3   Fr= 1--     365.577                100.965                  5.280
 CID3   Fr= 1--      58.693                  2.385                  1.796
 RC180  Fr= 1--       0.711                 -0.707                 -0.772
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.03     0.04   0.11   0.08    -0.02   0.00  -0.18
     2   6    -0.00  -0.01   0.02    -0.02  -0.12  -0.05     0.03  -0.01   0.22
     3   6     0.01   0.02   0.00    -0.01   0.12  -0.04    -0.02   0.03   0.04
     4   6     0.01   0.00   0.01     0.02   0.04  -0.00    -0.03  -0.01  -0.14
     5   6     0.00   0.00   0.01     0.03  -0.03  -0.05     0.02   0.01   0.08
     6   6    -0.00  -0.02   0.01     0.01  -0.26   0.02    -0.00  -0.06  -0.07
     7   6    -0.01   0.03   0.01    -0.05   0.29  -0.04     0.00   0.06   0.01
     8   1     0.02   0.02  -0.01    -0.03   0.12  -0.04     0.02   0.07   0.40
     9   1    -0.03   0.02  -0.06    -0.08   0.11   0.19     0.01   0.03   0.16
    10   1    -0.02  -0.03  -0.06    -0.02  -0.25   0.29    -0.05  -0.09  -0.21
    11   6     0.01  -0.01   0.05    -0.11  -0.07   0.10    -0.04  -0.02   0.03
    12   6     0.03  -0.16  -0.05    -0.04   0.05   0.04    -0.02   0.03   0.02
    13   6    -0.07   0.51   0.04    -0.02  -0.00  -0.05     0.02  -0.02   0.00
    14   1    -0.09  -0.24  -0.25    -0.12  -0.14   0.02    -0.00  -0.04   0.03
    15   1    -0.07   0.23  -0.09     0.05   0.16  -0.02     0.01   0.04   0.00
    16   1     0.04  -0.39  -0.30     0.13  -0.16  -0.11     0.04  -0.03  -0.02
    17   1     0.01  -0.15  -0.23    -0.02   0.33   0.03    -0.01   0.11   0.02
    18   8     0.08  -0.12  -0.05    -0.03  -0.01   0.06     0.01   0.01   0.01
    19   8    -0.06  -0.09   0.06     0.07   0.01  -0.08     0.01   0.00  -0.02
    20   1     0.01  -0.37  -0.04     0.03   0.07   0.04     0.01  -0.00  -0.04
    21   6    -0.02   0.01  -0.01    -0.05   0.08   0.05    -0.01   0.00  -0.11
    22   6     0.00  -0.00   0.02    -0.03  -0.04  -0.06     0.01   0.00   0.08
    23   6     0.00  -0.01  -0.01     0.03  -0.12   0.03     0.02  -0.03  -0.01
    24   8     0.01  -0.01  -0.00     0.08  -0.08   0.01     0.01  -0.01  -0.00
    25   6     0.01   0.00  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.04    -0.07   0.27  -0.25     0.07   0.11   0.43
    27   1    -0.01   0.00  -0.01     0.06  -0.04  -0.07     0.06   0.02   0.26
    28   1    -0.00  -0.01  -0.04     0.11  -0.09   0.18    -0.02  -0.08  -0.55
    29   1    -0.01   0.00   0.00    -0.04   0.01   0.01    -0.00   0.00  -0.00
    30   1    -0.01   0.00   0.00    -0.04   0.02   0.00    -0.01   0.00   0.00
    31   1     0.02   0.02  -0.00     0.11   0.14  -0.03     0.01   0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    813.6681               820.7669               837.0484
 Red. masses --      3.2777                 1.5208                 1.7272
 Frc consts  --      1.2785                 0.6036                 0.7130
 IR Inten    --      6.0589                22.8057                 2.6706
 RamAct Fr= 1--      6.3856                 0.8104                 1.5173
  Dep-P Fr= 1--      0.5149                 0.2189                 0.3656
  Dep-U Fr= 1--      0.6797                 0.3592                 0.5354
 Alpha2 Fr= 1--      0.0294                 0.0105                 0.0127
 Beta2  Fr= 1--      0.7234                 0.0485                 0.1354
 AlphaG Fr= 1--     -0.0759                -0.0242                -0.0231
 Gamma2 Fr= 1--      1.5844                -0.2667                 0.0013
 Delta2 Fr= 1--     -0.8265                -0.1321                 0.0252
 Raman1 Fr= 1--      25.543                  3.242                  6.069
 ROA1   Fr= 1--     125.651                -29.832                  0.935
 CID1   Fr= 1--       4.919                 -9.203                  0.154
 Raman2 Fr= 1--       8.681                  0.582                  1.625
 ROA2   Fr= 1--      44.637                 -5.345                 -0.169
 CID2   Fr= 1--       5.142                 -9.182                 -0.104
 Raman3 Fr= 1--      17.362                  1.164                  3.250
 ROA3   Fr= 1--     125.651                -29.832                  0.935
 CID3   Fr= 1--       7.237                -25.623                  0.288
 RC180  Fr= 1--       0.359                 -0.282                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.04     0.02   0.00   0.11    -0.03   0.01  -0.04
     2   6    -0.04   0.07   0.07    -0.01   0.00  -0.05     0.03  -0.01   0.07
     3   6     0.13  -0.08  -0.03     0.02  -0.01   0.00    -0.05   0.02  -0.01
     4   6     0.06  -0.00   0.00     0.01   0.00   0.04    -0.00   0.01   0.11
     5   6    -0.01   0.00  -0.03    -0.01  -0.01  -0.06    -0.02  -0.02  -0.09
     6   6    -0.02   0.09  -0.07    -0.00   0.01  -0.01    -0.02  -0.02  -0.09
     7   6    -0.03  -0.07   0.05    -0.02  -0.02  -0.10     0.01   0.01   0.03
     8   1     0.24  -0.03   0.23    -0.01  -0.04  -0.34    -0.08   0.02   0.01
     9   1     0.06   0.02   0.33     0.03   0.02   0.18     0.04   0.05   0.50
    10   1     0.11   0.15   0.24     0.05   0.05   0.28     0.05   0.05   0.62
    11   6     0.05  -0.03   0.15     0.00  -0.00   0.01     0.03   0.04  -0.05
    12   6     0.00   0.02   0.06    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    13   6    -0.10   0.02  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    14   1     0.12  -0.14   0.08     0.00  -0.02   0.00    -0.06   0.10  -0.04
    15   1    -0.11   0.39   0.03    -0.00   0.03  -0.00     0.01  -0.15  -0.00
    16   1     0.02  -0.20  -0.17     0.01  -0.02  -0.02    -0.05   0.10   0.08
    17   1    -0.02   0.03  -0.11    -0.00   0.01  -0.01     0.02  -0.13   0.02
    18   8    -0.11  -0.04   0.05    -0.01  -0.00   0.00     0.01   0.00  -0.01
    19   8     0.12   0.01  -0.13     0.01  -0.00  -0.01    -0.03  -0.00   0.04
    20   1     0.06  -0.00   0.16    -0.00   0.03   0.01    -0.02  -0.01   0.01
    21   6    -0.04  -0.02   0.03    -0.02  -0.01  -0.10     0.02   0.00   0.02
    22   6    -0.02  -0.01  -0.05     0.01   0.01   0.07     0.00  -0.00  -0.07
    23   6    -0.10   0.09   0.02    -0.01   0.01   0.02     0.05  -0.02   0.05
    24   8     0.02  -0.02   0.01     0.00  -0.01  -0.02    -0.01   0.02   0.02
    25   6     0.03   0.02  -0.00     0.01   0.00  -0.00    -0.02  -0.01   0.01
    26   1    -0.13  -0.12  -0.15     0.05   0.04   0.52     0.03   0.00  -0.14
    27   1    -0.12   0.01  -0.15     0.06   0.07   0.64     0.00  -0.02  -0.13
    28   1    -0.24   0.03  -0.17    -0.05  -0.01  -0.13     0.04  -0.05  -0.41
    29   1     0.01   0.02  -0.00     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    30   1     0.02   0.02  -0.00    -0.00   0.01  -0.01    -0.00  -0.01   0.00
    31   1     0.04   0.03  -0.02     0.01   0.01   0.03    -0.02  -0.02  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    854.7622               898.8081               918.0622
 Red. masses --      3.2662                 1.6964                 1.4647
 Frc consts  --      1.4060                 0.8075                 0.7273
 IR Inten    --      6.3561                32.3655                 9.9138
 RamAct Fr= 1--     29.5636                 1.8199                 1.4443
  Dep-P Fr= 1--      0.1199                 0.7487                 0.6241
  Dep-U Fr= 1--      0.2142                 0.8563                 0.7685
 Alpha2 Fr= 1--      0.4928                 0.0000                 0.0033
 Beta2  Fr= 1--      1.0553                 0.2597                 0.1850
 AlphaG Fr= 1--      0.3907                -0.0011                -0.0256
 Gamma2 Fr= 1--     -2.2078                -0.4497                -1.0629
 Delta2 Fr= 1--      0.2194                -0.0988                -0.4234
 Raman1 Fr= 1--     118.254                  7.280                  5.777
 ROA1   Fr= 1--    -204.930                -46.328               -115.588
 CID1   Fr= 1--      -1.733                 -6.364                -20.008
 Raman2 Fr= 1--      12.663                  3.117                  2.220
 ROA2   Fr= 1--     -54.742                -10.002                -22.123
 CID2   Fr= 1--      -4.323                 -3.209                 -9.965
 Raman3 Fr= 1--      25.326                  6.234                  4.440
 ROA3   Fr= 1--    -204.930                -46.328               -115.588
 CID3   Fr= 1--      -8.092                 -7.432                -26.034
 RC180  Fr= 1--      -0.572                  0.713                  0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.06   0.03    -0.00  -0.00  -0.03     0.01   0.00   0.07
     2   6     0.08  -0.03  -0.02     0.01   0.01   0.11    -0.01  -0.01  -0.02
     3   6    -0.16   0.09  -0.01     0.00  -0.00   0.01    -0.02  -0.02  -0.16
     4   6    -0.00  -0.03  -0.01    -0.00   0.00   0.02    -0.00   0.01   0.06
     5   6    -0.08  -0.03   0.03    -0.00  -0.00  -0.05     0.01   0.01  -0.00
     6   6    -0.05   0.02   0.03    -0.00  -0.01  -0.05     0.01  -0.00   0.02
     7   6     0.02  -0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
     8   1    -0.33   0.05   0.10     0.01   0.00   0.01     0.11   0.08   0.85
     9   1    -0.11  -0.02  -0.07     0.05   0.04   0.37     0.01   0.00  -0.03
    10   1    -0.15  -0.02  -0.10     0.02   0.01   0.15    -0.01  -0.01  -0.07
    11   6     0.16   0.02   0.10     0.00   0.01  -0.01    -0.00   0.02  -0.01
    12   6     0.07  -0.01   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.02
    13   6    -0.07   0.01  -0.05     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.21   0.04   0.15    -0.02   0.02  -0.01    -0.06   0.06  -0.01
    15   1    -0.22   0.32   0.10     0.01  -0.03  -0.00     0.01  -0.10  -0.00
    16   1    -0.14   0.01  -0.05    -0.01   0.01   0.01    -0.02   0.05   0.04
    17   1     0.02  -0.37  -0.20     0.00  -0.02   0.01     0.01  -0.07   0.03
    18   8    -0.09  -0.03   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8     0.08   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00   0.01
    20   1     0.04  -0.01   0.12    -0.00   0.00   0.00    -0.00  -0.05   0.02
    21   6     0.04  -0.02  -0.02    -0.00  -0.00  -0.03    -0.00   0.00  -0.06
    22   6     0.06   0.03   0.01     0.01   0.01   0.09    -0.01  -0.00   0.01
    23   6     0.17  -0.08  -0.03    -0.02  -0.02  -0.18    -0.01  -0.00   0.01
    24   8    -0.03   0.06  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.00
    25   6    -0.08  -0.05   0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    26   1     0.16   0.02   0.03    -0.00  -0.00  -0.03    -0.04  -0.02  -0.19
    27   1     0.04   0.00   0.08     0.01   0.00   0.04     0.05   0.04   0.37
    28   1     0.35  -0.01   0.07     0.10   0.09   0.87    -0.02  -0.00   0.02
    29   1    -0.03  -0.04   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.03  -0.04   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    31   1    -0.10  -0.10   0.03     0.00   0.00   0.00     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    938.5338               950.3572               975.7303
 Red. masses --      3.7058                 1.3427                 1.4081
 Frc consts  --      1.9232                 0.7145                 0.7898
 IR Inten    --     12.0065                 2.2898                 1.0018
 RamAct Fr= 1--      8.2930                 0.9909                 3.7791
  Dep-P Fr= 1--      0.3340                 0.7418                 0.2609
  Dep-U Fr= 1--      0.5008                 0.8518                 0.4138
 Alpha2 Fr= 1--      0.0766                 0.0001                 0.0434
 Beta2  Fr= 1--      0.6922                 0.1407                 0.2606
 AlphaG Fr= 1--      0.1437                -0.0018                 0.2623
 Gamma2 Fr= 1--      2.2142                 0.4230                 3.1701
 Delta2 Fr= 1--     -1.2191                 0.1247                 0.8154
 Raman1 Fr= 1--      33.172                  3.964                 15.116
 ROA1   Fr= 1--     173.547                 44.600                330.420
 CID1   Fr= 1--       5.232                 11.253                 21.858
 Raman2 Fr= 1--       8.306                  1.688                  3.128
 ROA2   Fr= 1--      62.893                  9.154                 69.558
 CID2   Fr= 1--       7.572                  5.423                 22.240
 Raman3 Fr= 1--      16.612                  3.376                  6.255
 ROA3   Fr= 1--     173.547                 44.600                330.420
 CID3   Fr= 1--      10.447                 13.211                 52.822
 RC180  Fr= 1--       0.002                  0.704                 -0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.01     0.01   0.01   0.04     0.00   0.01  -0.01
     2   6    -0.05  -0.06   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.02
     3   6    -0.10  -0.12   0.04    -0.00  -0.00  -0.06     0.01  -0.03   0.02
     4   6    -0.12  -0.03  -0.00     0.00   0.00   0.02    -0.01   0.01   0.01
     5   6     0.14   0.19  -0.04    -0.01  -0.01  -0.01    -0.01   0.01  -0.12
     6   6     0.04   0.01  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.12
     7   6     0.03   0.03  -0.02    -0.02  -0.01  -0.12     0.00   0.02   0.01
     8   1    -0.17  -0.15  -0.08     0.05   0.03   0.29     0.01  -0.03  -0.07
     9   1     0.23   0.11  -0.01     0.00   0.01   0.09     0.07   0.11   0.66
    10   1    -0.18  -0.05  -0.02     0.00  -0.01  -0.05    -0.12  -0.11  -0.66
    11   6     0.06   0.04   0.04    -0.00   0.01  -0.00    -0.00   0.02   0.01
    12   6     0.08  -0.03  -0.02    -0.00  -0.01  -0.01     0.01  -0.02  -0.01
    13   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.01   0.18   0.15    -0.02   0.02  -0.01    -0.02   0.04   0.03
    15   1    -0.17   0.05   0.09     0.01  -0.04  -0.00    -0.00  -0.03   0.00
    16   1    -0.19   0.15   0.06     0.00   0.01   0.01    -0.02   0.01   0.01
    17   1     0.04  -0.47  -0.12     0.00  -0.00   0.01     0.01  -0.06  -0.00
    18   8    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8     0.02   0.00  -0.03    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.02   0.01  -0.01    -0.00  -0.02   0.01     0.00   0.01  -0.00
    21   6     0.13   0.19  -0.02     0.00   0.00   0.09    -0.02  -0.04   0.00
    22   6    -0.10  -0.03   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    23   6    -0.12  -0.12   0.03     0.00   0.01  -0.01     0.00   0.04   0.02
    24   8     0.00  -0.07   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    25   6     0.09   0.07  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1    -0.15  -0.01   0.12     0.09   0.08   0.73     0.06   0.03  -0.08
    27   1     0.19   0.12  -0.14    -0.07  -0.07  -0.55     0.01  -0.06   0.03
    28   1    -0.20  -0.15   0.03     0.01   0.01   0.05     0.00   0.04  -0.10
    29   1     0.04   0.06  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   1     0.04   0.06  -0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    31   1     0.11   0.11  -0.03    -0.01  -0.01  -0.01    -0.02  -0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.4405              1013.2051              1069.6555
 Red. masses --      3.0946                 2.2961                 3.6461
 Frc consts  --      1.7491                 1.3888                 2.4579
 IR Inten    --      2.7261                10.9183                57.0531
 RamAct Fr= 1--     23.2532                 2.6314                 2.4618
  Dep-P Fr= 1--      0.1534                 0.5533                 0.1014
  Dep-U Fr= 1--      0.2660                 0.7124                 0.1842
 Alpha2 Fr= 1--      0.3564                 0.0099                 0.0430
 Beta2  Fr= 1--      1.0309                 0.3125                 0.0756
 AlphaG Fr= 1--     -0.4082                 0.0349                 0.0123
 Gamma2 Fr= 1--     -3.1014                 0.9671                -0.1799
 Delta2 Fr= 1--     -0.8317                -1.9653                -0.0386
 Raman1 Fr= 1--      93.013                 10.526                  9.847
 ROA1   Fr= 1--    -324.345                 29.946                -18.501
 CID1   Fr= 1--      -3.487                  2.845                 -1.879
 Raman2 Fr= 1--      12.370                  3.750                  0.907
 ROA2   Fr= 1--     -67.779                 38.932                 -4.008
 CID2   Fr= 1--      -5.479                 10.383                 -4.420
 Raman3 Fr= 1--      24.740                  7.499                  1.814
 ROA3   Fr= 1--    -324.345                 29.946                -18.501
 CID3   Fr= 1--     -13.110                  3.993                -10.200
 RC180  Fr= 1--      -0.468                  0.425                 -0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.00    -0.03   0.01   0.00    -0.02  -0.01   0.00
     2   6    -0.00   0.02  -0.01    -0.01  -0.02   0.00    -0.06   0.05   0.00
     3   6    -0.02   0.16  -0.02    -0.04  -0.08  -0.00     0.02  -0.06   0.00
     4   6     0.08  -0.01   0.01     0.03  -0.04   0.04     0.02  -0.00  -0.00
     5   6    -0.06  -0.15  -0.04     0.03   0.11  -0.03     0.03   0.04  -0.01
     6   6     0.00   0.13   0.04    -0.03   0.00   0.01    -0.00  -0.04   0.00
     7   6    -0.01  -0.11   0.02     0.01   0.02  -0.01    -0.03   0.02   0.00
     8   1    -0.02   0.16   0.00    -0.18  -0.12   0.12     0.01  -0.06   0.01
     9   1     0.07  -0.18   0.35    -0.00   0.16   0.04    -0.05   0.12  -0.01
    10   1     0.21   0.16  -0.35    -0.25  -0.06   0.03    -0.00  -0.04   0.01
    11   6     0.01  -0.05  -0.05     0.09  -0.13  -0.13     0.00  -0.00   0.01
    12   6    -0.04   0.05   0.03    -0.03   0.13   0.10    -0.02  -0.00  -0.01
    13   6     0.01   0.01  -0.01     0.02  -0.01  -0.06    -0.01   0.01   0.01
    14   1     0.02  -0.16  -0.15     0.10  -0.43  -0.44     0.04   0.01   0.05
    15   1     0.06   0.06  -0.02    -0.06   0.47   0.04     0.04  -0.09  -0.02
    16   1     0.08  -0.05  -0.03     0.02  -0.09  -0.13     0.03   0.01   0.03
    17   1    -0.03   0.26   0.04    -0.04   0.23  -0.09    -0.01   0.07   0.05
    18   8     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.02  -0.00   0.03    -0.04  -0.01   0.08     0.01  -0.00  -0.01
    20   1    -0.02  -0.01   0.04    -0.05  -0.02   0.11     0.01   0.00  -0.03
    21   6     0.07   0.19  -0.03     0.01  -0.02   0.00     0.04   0.11  -0.02
    22   6    -0.06  -0.00   0.00     0.01   0.00  -0.00     0.15  -0.07  -0.01
    23   6    -0.00  -0.19   0.03     0.00   0.02  -0.00    -0.04  -0.08   0.01
    24   8    -0.00  -0.04   0.00     0.00   0.01  -0.00     0.17   0.20  -0.04
    25   6     0.04   0.03  -0.01    -0.01  -0.00   0.00    -0.20  -0.19   0.04
    26   1    -0.31  -0.20   0.04     0.08   0.05  -0.01    -0.24  -0.03   0.03
    27   1    -0.04   0.30  -0.02     0.04  -0.04  -0.00    -0.10   0.25  -0.01
    28   1    -0.07  -0.22  -0.01     0.04   0.03  -0.01    -0.64  -0.28   0.11
    29   1     0.00   0.02  -0.00     0.00  -0.00  -0.00    -0.10  -0.13   0.04
    30   1     0.00   0.02  -0.00     0.00  -0.00   0.00    -0.11  -0.14   0.01
    31   1     0.07   0.07  -0.02    -0.01  -0.01   0.00    -0.16  -0.15   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1077.3910              1091.4306              1164.9454
 Red. masses --      2.2671                 1.6796                 1.5982
 Frc consts  --      1.5505                 1.1788                 1.2779
 IR Inten    --     14.9109                 4.6656                24.3909
 RamAct Fr= 1--     16.6447                 9.7282                 2.9670
  Dep-P Fr= 1--      0.5556                 0.1499                 0.4576
  Dep-U Fr= 1--      0.7143                 0.2607                 0.6278
 Alpha2 Fr= 1--      0.0616                 0.1504                 0.0176
 Beta2  Fr= 1--      1.9817                 0.4227                 0.3105
 AlphaG Fr= 1--      0.0862                -0.1727                 0.0014
 Gamma2 Fr= 1--     -1.3214                 1.5164                -2.0435
 Delta2 Fr= 1--      0.1119                 0.6202                -2.6962
 Raman1 Fr= 1--      66.579                 38.913                 11.868
 ROA1   Fr= 1--    -123.274                165.422               -282.454
 CID1   Fr= 1--      -1.852                  4.251                -23.799
 Raman2 Fr= 1--      23.780                  5.072                  3.726
 ROA2   Fr= 1--     -32.608                 31.433                -27.475
 CID2   Fr= 1--      -1.371                  6.197                 -7.375
 Raman3 Fr= 1--      47.560                 10.144                  7.451
 ROA3   Fr= 1--    -123.274                165.422               -282.454
 CID3   Fr= 1--      -2.592                 16.307                -37.907
 RC180  Fr= 1--       0.429                 -0.479                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.03   0.02   0.00     0.01  -0.08   0.01
     2   6     0.01   0.02  -0.00     0.01   0.00  -0.00     0.01  -0.04   0.00
     3   6    -0.01   0.00   0.00    -0.05  -0.07   0.01    -0.05   0.05  -0.00
     4   6    -0.10   0.07   0.00     0.03   0.01   0.01    -0.07   0.05   0.01
     5   6    -0.01  -0.06   0.01     0.02   0.02  -0.01     0.01  -0.06   0.00
     6   6     0.04  -0.04  -0.00     0.00  -0.01   0.00    -0.02   0.04  -0.00
     7   6    -0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05   0.08  -0.00
     8   1     0.18   0.06  -0.04    -0.24  -0.13   0.07     0.17   0.11  -0.02
     9   1     0.05  -0.13  -0.01    -0.00   0.04   0.00     0.32  -0.35   0.00
    10   1     0.20   0.00  -0.02    -0.07  -0.03   0.01    -0.11   0.02   0.01
    11   6    -0.02   0.20  -0.03     0.08   0.13  -0.00     0.06  -0.03  -0.01
    12   6     0.06  -0.11   0.09    -0.11  -0.08  -0.01    -0.02   0.03  -0.01
    13   6     0.04  -0.11  -0.07    -0.02   0.00   0.05    -0.01   0.02   0.01
    14   1    -0.00  -0.07  -0.29     0.43  -0.03   0.05     0.22  -0.10   0.03
    15   1    -0.09   0.50   0.02     0.29  -0.20  -0.18     0.04  -0.07  -0.02
    16   1     0.03  -0.47  -0.31     0.32  -0.31  -0.07     0.03   0.06   0.04
    17   1     0.02  -0.10  -0.27    -0.04   0.53   0.13    -0.01   0.04   0.04
    18   8     0.02   0.03   0.00    -0.03  -0.00  -0.01    -0.01  -0.01  -0.00
    19   8    -0.04   0.01   0.05     0.02   0.01  -0.03     0.01  -0.00  -0.01
    20   1    -0.05   0.00   0.13     0.03   0.01  -0.06     0.01  -0.00  -0.02
    21   6     0.01   0.01  -0.00     0.02   0.01  -0.00     0.05  -0.04  -0.00
    22   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.00   0.00
    23   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.06  -0.00
    24   8     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.04   0.02  -0.01
    25   6    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.03  -0.02   0.00
    26   1    -0.05   0.00   0.00     0.04   0.01  -0.00    -0.38  -0.02   0.05
    27   1     0.04  -0.02  -0.00     0.03  -0.00  -0.00     0.50  -0.44  -0.01
    28   1    -0.11  -0.03   0.02     0.04  -0.00  -0.00    -0.01   0.07  -0.01
    29   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.03  -0.00  -0.00
    30   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.01   0.00
    31   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5591              1181.4664              1187.9317
 Red. masses --      1.2707                 1.7590                 1.7944
 Frc consts  --      1.0294                 1.4466                 1.4920
 IR Inten    --      0.8504                45.1883                68.4693
 RamAct Fr= 1--      0.9043                 8.8036                31.4900
  Dep-P Fr= 1--      0.7500                 0.1005                 0.4303
  Dep-U Fr= 1--      0.8571                 0.1827                 0.6017
 Alpha2 Fr= 1--      0.0000                 0.1539                 0.2086
 Beta2  Fr= 1--      0.1292                 0.2681                 3.1578
 AlphaG Fr= 1--     -0.0008                -0.0675                 0.0059
 Gamma2 Fr= 1--     -0.0283                -0.3046               -10.2370
 Delta2 Fr= 1--     -0.0307                -0.1269                -0.8667
 Raman1 Fr= 1--       3.617                 35.215                125.960
 ROA1   Fr= 1--      -3.698                -33.305              -1010.489
 CID1   Fr= 1--      -1.022                 -0.946                 -8.022
 Raman2 Fr= 1--       1.550                  3.217                 37.893
 ROA2   Fr= 1--      -0.433                 -6.295               -238.756
 CID2   Fr= 1--      -0.279                 -1.957                 -6.301
 Raman3 Fr= 1--       3.100                  6.434                 75.786
 ROA3   Fr= 1--      -3.698                -33.305              -1010.489
 CID3   Fr= 1--      -1.193                 -5.177                -13.333
 RC180  Fr= 1--       0.714                 -0.635                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02   0.03  -0.00    -0.07  -0.04   0.01
     2   6    -0.00   0.00  -0.00    -0.06  -0.08   0.02    -0.10  -0.03   0.02
     3   6     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.06  -0.06  -0.01    -0.02  -0.01   0.02
     5   6    -0.00   0.00   0.00     0.07   0.00  -0.01    -0.03   0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.05   0.08  -0.00     0.05   0.02  -0.01
     7   6     0.00  -0.00   0.00     0.03  -0.02  -0.00     0.03   0.02  -0.01
     8   1    -0.00  -0.00  -0.00    -0.15  -0.00   0.01     0.21   0.04   0.01
     9   1    -0.00   0.00  -0.00     0.44  -0.34  -0.02    -0.15   0.14   0.02
    10   1     0.00  -0.00  -0.00    -0.42  -0.02   0.05     0.54   0.17  -0.08
    11   6    -0.00   0.00   0.00    -0.04   0.06   0.01    -0.01  -0.01  -0.08
    12   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.01   0.03
    13   6     0.00  -0.00  -0.00     0.01  -0.02  -0.01    -0.02  -0.00   0.13
    14   1    -0.00   0.00  -0.00    -0.18   0.10  -0.04     0.07  -0.02  -0.04
    15   1    -0.00   0.00   0.00     0.01   0.03  -0.01    -0.03   0.11   0.02
    16   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.04    -0.02  -0.07  -0.07
    17   1     0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.01  -0.04  -0.07
    18   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    19   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.05   0.01  -0.03
    20   1    -0.00   0.00   0.00    -0.01  -0.00   0.04     0.12   0.03  -0.40
    21   6    -0.00   0.00   0.00    -0.04  -0.02   0.01    -0.01   0.02  -0.00
    22   6     0.00   0.00   0.00    -0.06   0.04   0.00    -0.07  -0.01   0.01
    23   6     0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01  -0.00
    24   8     0.01   0.01   0.06     0.06   0.05  -0.01     0.06   0.03  -0.01
    25   6    -0.02  -0.01  -0.14     0.01  -0.09   0.01    -0.02  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.21   0.03  -0.03     0.17   0.06  -0.03
    27   1    -0.00   0.00   0.01    -0.12   0.05   0.01     0.10  -0.08  -0.00
    28   1     0.00   0.00   0.01     0.26   0.08  -0.04     0.46   0.13  -0.07
    29   1     0.44   0.50   0.07    -0.20  -0.03   0.08    -0.05  -0.01   0.03
    30   1    -0.40  -0.46   0.28    -0.21  -0.04  -0.02    -0.05  -0.02  -0.01
    31   1     0.03   0.03   0.28     0.22   0.28  -0.06     0.08   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.1426              1199.4921              1206.3382
 Red. masses --      1.9037                 1.4309                 1.6150
 Frc consts  --      1.6048                 1.2130                 1.3847
 IR Inten    --     10.9382                21.2739                 0.4607
 RamAct Fr= 1--     35.8425               111.9176                 3.3210
  Dep-P Fr= 1--      0.6800                 0.2572                 0.2844
  Dep-U Fr= 1--      0.8095                 0.4091                 0.4429
 Alpha2 Fr= 1--      0.0442                 1.2999                 0.0357
 Beta2  Fr= 1--      4.8359                 7.6315                 0.2451
 AlphaG Fr= 1--      0.0898                 0.3015                 0.0752
 Gamma2 Fr= 1--      5.8482                22.5715                 4.3235
 Delta2 Fr= 1--     -0.9775                -0.7074                -0.2622
 Raman1 Fr= 1--     143.370                447.670                 13.284
 ROA1   Fr= 1--     530.145               2144.230                406.668
 CID1   Fr= 1--       3.698                  4.790                 30.614
 Raman2 Fr= 1--      58.031                 91.578                  2.942
 ROA2   Fr= 1--     148.177                547.376                105.861
 CID2   Fr= 1--       2.553                  5.977                 35.987
 Raman3 Fr= 1--     116.062                183.157                  5.883
 ROA3   Fr= 1--     530.145               2144.230                406.668
 CID3   Fr= 1--       4.568                 11.707                 69.123
 RC180  Fr= 1--       0.619                 -0.182                 -0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.01    -0.03  -0.01   0.00     0.07   0.03  -0.01
     2   6     0.06   0.00  -0.01     0.00  -0.00   0.00     0.09   0.05  -0.02
     3   6     0.00   0.03  -0.01    -0.00  -0.02   0.00    -0.03  -0.02   0.00
     4   6     0.00   0.00   0.03    -0.12   0.06   0.01    -0.02   0.05   0.01
     5   6     0.02  -0.03  -0.00    -0.01  -0.03   0.00    -0.02  -0.01   0.00
     6   6    -0.03  -0.01   0.00     0.01  -0.03   0.00     0.00  -0.05   0.01
     7   6    -0.01  -0.00   0.00     0.04   0.01  -0.01    -0.02  -0.04   0.01
     8   1     0.01   0.03   0.04     0.42   0.11  -0.05    -0.15  -0.06   0.03
     9   1     0.22  -0.21   0.01     0.20  -0.24   0.00    -0.20   0.16   0.01
    10   1    -0.41  -0.12   0.07     0.01  -0.03   0.00     0.06  -0.04  -0.00
    11   6    -0.04  -0.01  -0.11     0.07  -0.04   0.01    -0.01  -0.03  -0.02
    12   6     0.03   0.01   0.04    -0.02   0.03  -0.02     0.02   0.01   0.00
    13   6    -0.03  -0.01   0.19    -0.01   0.02  -0.02    -0.01   0.01   0.03
    14   1    -0.01   0.00  -0.07     0.31  -0.15   0.04     0.08  -0.05   0.01
    15   1    -0.07   0.17   0.05     0.04  -0.09  -0.02    -0.03   0.02   0.02
    16   1    -0.06  -0.10  -0.11     0.03   0.10   0.07    -0.04   0.03  -0.00
    17   1     0.00  -0.09  -0.13    -0.01   0.01   0.07     0.01  -0.05  -0.03
    18   8    -0.05  -0.01  -0.01     0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    19   8     0.07   0.01  -0.04    -0.01  -0.00   0.00     0.01   0.00  -0.01
    20   1     0.17   0.03  -0.54    -0.02  -0.00   0.08     0.04   0.00  -0.11
    21   6    -0.01  -0.00   0.00    -0.03   0.02   0.00     0.01  -0.04   0.00
    22   6     0.06  -0.00  -0.01     0.01   0.01  -0.00    -0.03   0.06  -0.00
    23   6    -0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.01   0.00
    24   8    -0.04  -0.03   0.01    -0.02   0.01   0.00    -0.04   0.04   0.00
    25   6     0.00   0.05  -0.01     0.03  -0.02  -0.00     0.09  -0.08  -0.00
    26   1     0.03   0.01  -0.00     0.52   0.15  -0.08    -0.17  -0.09   0.03
    27   1    -0.18   0.15   0.00    -0.30   0.26   0.01     0.12  -0.14   0.00
    28   1    -0.33  -0.09   0.05    -0.12  -0.06   0.02    -0.24  -0.08   0.04
    29   1     0.09   0.01  -0.04    -0.09  -0.00   0.03    -0.36  -0.01   0.12
    30   1     0.09   0.02   0.01    -0.10  -0.01  -0.01    -0.37  -0.03  -0.03
    31   1    -0.12  -0.16   0.03     0.09   0.09  -0.02     0.40   0.48  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1262.6288              1297.6505              1303.7685
 Red. masses --      1.8247                 1.7861                 1.4240
 Frc consts  --      1.7139                 1.7720                 1.4261
 IR Inten    --     87.0675                11.5814                23.6716
 RamAct Fr= 1--     48.5410                 7.7246                19.9963
  Dep-P Fr= 1--      0.2659                 0.2464                 0.4595
  Dep-U Fr= 1--      0.4201                 0.3954                 0.6297
 Alpha2 Fr= 1--      0.5500                 0.0925                 0.1179
 Beta2  Fr= 1--      3.3990                 0.5090                 2.0985
 AlphaG Fr= 1--      0.4388                -0.0689                 0.1627
 Gamma2 Fr= 1--      2.3098                -5.4280                 4.9337
 Delta2 Fr= 1--     -1.7109                -0.0931                -3.8352
 Raman1 Fr= 1--     194.164                 30.898                 79.985
 ROA1   Fr= 1--     166.991               -524.070                350.912
 CID1   Fr= 1--       0.860                -16.961                  4.387
 Raman2 Fr= 1--      40.788                  6.108                 25.182
 ROA2   Fr= 1--      69.122               -129.528                149.091
 CID2   Fr= 1--       1.695                -21.206                  5.920
 Raman3 Fr= 1--      81.576                 12.216                 50.365
 ROA3   Fr= 1--     166.991               -524.070                350.912
 CID3   Fr= 1--       2.047                -42.900                  6.967
 RC180  Fr= 1--      -0.160                 -0.209                  0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.08  -0.03    -0.07   0.13  -0.00    -0.04   0.00   0.00
     2   6    -0.02   0.02   0.00    -0.05   0.15  -0.01    -0.03   0.01   0.00
     3   6    -0.02  -0.03   0.00     0.05  -0.05  -0.00     0.02  -0.01  -0.00
     4   6    -0.07   0.11   0.01    -0.03  -0.01   0.00     0.02  -0.01   0.02
     5   6     0.01  -0.01  -0.00     0.03  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.02  -0.04   0.01    -0.02  -0.06   0.01    -0.00   0.00  -0.00
     7   6     0.01  -0.05   0.00    -0.02  -0.05   0.01    -0.00   0.01  -0.00
     8   1    -0.47  -0.15   0.08     0.51   0.07  -0.07     0.07   0.01   0.02
     9   1     0.16  -0.15   0.00     0.08  -0.05  -0.01     0.04  -0.02   0.02
    10   1     0.21   0.02  -0.03    -0.38  -0.17   0.07    -0.06  -0.01   0.01
    11   6    -0.03  -0.03  -0.01     0.01   0.01   0.02    -0.08  -0.05  -0.11
    12   6     0.03   0.02  -0.01    -0.00   0.01  -0.01     0.01  -0.01   0.06
    13   6    -0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.02
    14   1     0.38  -0.16   0.10    -0.04  -0.10  -0.13     0.40   0.42   0.66
    15   1    -0.05  -0.01   0.03     0.01  -0.04  -0.00    -0.02   0.16   0.03
    16   1    -0.06   0.08   0.02     0.03   0.02   0.01    -0.04  -0.14  -0.10
    17   1     0.02  -0.06  -0.03    -0.00  -0.06   0.03    -0.02   0.03  -0.12
    18   8     0.01  -0.00   0.00    -0.01  -0.00  -0.00     0.05   0.01   0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01  -0.02
    20   1     0.01   0.00  -0.03     0.01   0.00  -0.03    -0.08  -0.01   0.28
    21   6    -0.03  -0.03   0.01     0.04   0.00  -0.01     0.01   0.00  -0.00
    22   6    -0.05   0.02   0.00     0.01  -0.04   0.00     0.03  -0.03  -0.00
    23   6    -0.05  -0.03   0.01     0.04  -0.05   0.00     0.02  -0.00  -0.00
    24   8     0.07  -0.01  -0.01    -0.02   0.01   0.00    -0.03   0.01   0.00
    25   6    -0.05   0.01   0.00     0.02  -0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.21  -0.13   0.04    -0.42  -0.16   0.07    -0.07  -0.00   0.01
    27   1    -0.26   0.18   0.01     0.04   0.00  -0.01     0.02   0.00  -0.00
    28   1     0.37   0.10  -0.06     0.46   0.08  -0.06     0.05   0.01  -0.01
    29   1     0.13   0.00  -0.03    -0.04   0.00   0.01    -0.05  -0.00   0.01
    30   1     0.14   0.01   0.00    -0.04  -0.00  -0.00    -0.05  -0.00   0.00
    31   1    -0.13  -0.14   0.03     0.03   0.03  -0.01     0.02   0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1307.8195              1328.3309              1344.8662
 Red. masses --      2.5425                 1.7275                 1.8393
 Frc consts  --      2.5621                 1.7959                 1.9600
 IR Inten    --    246.2881               257.6837                 9.7759
 RamAct Fr= 1--     30.6025                 2.6006                 8.9977
  Dep-P Fr= 1--      0.2070                 0.2105                 0.3936
  Dep-U Fr= 1--      0.3430                 0.3477                 0.5649
 Alpha2 Fr= 1--      0.4079                 0.0343                 0.0682
 Beta2  Fr= 1--      1.7496                 0.1507                 0.8471
 AlphaG Fr= 1--      0.1686                 0.0565                 0.1101
 Gamma2 Fr= 1--      1.2299                -0.2610                -1.8539
 Delta2 Fr= 1--     -0.7365                 0.4155                -4.6336
 Raman1 Fr= 1--     122.410                 10.402                 35.991
 ROA1   Fr= 1--      94.501                -11.762               -326.256
 CID1   Fr= 1--       0.772                 -1.131                 -9.065
 Raman2 Fr= 1--      20.995                  1.809                 10.165
 ROA2   Fr= 1--      35.409                 -9.589                 -7.425
 CID2   Fr= 1--       1.687                 -5.301                 -0.730
 Raman3 Fr= 1--      41.990                  3.617                 20.330
 ROA3   Fr= 1--      94.501                -11.762               -326.256
 CID3   Fr= 1--       2.251                 -3.252                -16.048
 RC180  Fr= 1--      -0.314                 -0.305                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.00     0.00  -0.00  -0.00     0.11   0.01  -0.01
     2   6    -0.11  -0.09   0.02     0.01   0.00  -0.00     0.02  -0.00  -0.00
     3   6     0.02   0.02  -0.00    -0.00  -0.00  -0.00    -0.06   0.04   0.00
     4   6    -0.01   0.00  -0.00     0.00   0.00   0.01    -0.10  -0.03  -0.00
     5   6    -0.00   0.04  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.01   0.09  -0.01    -0.00  -0.01   0.00     0.04   0.01  -0.01
     8   1    -0.28  -0.06   0.04    -0.02  -0.01   0.02     0.14   0.10  -0.03
     9   1     0.24  -0.18  -0.01    -0.03   0.03   0.01    -0.09   0.11  -0.00
    10   1     0.37   0.13  -0.06     0.01   0.00   0.00     0.03  -0.00  -0.01
    11   6     0.02   0.02   0.03    -0.02   0.02  -0.02     0.16  -0.06  -0.04
    12   6     0.00   0.00  -0.02     0.02   0.02  -0.01    -0.06  -0.01   0.05
    13   6    -0.00  -0.01   0.02    -0.02  -0.02   0.19    -0.01   0.01   0.03
    14   1    -0.05  -0.15  -0.18    -0.02  -0.23  -0.27    -0.55   0.52   0.10
    15   1     0.00  -0.04  -0.00    -0.01  -0.08   0.02     0.17   0.07  -0.08
    16   1    -0.01   0.05   0.03    -0.03   0.00  -0.04     0.17  -0.18  -0.04
    17   1     0.01   0.00   0.02     0.01  -0.10  -0.03    -0.06   0.11  -0.04
    18   8    -0.01  -0.00  -0.00     0.05   0.01  -0.03    -0.01  -0.00  -0.01
    19   8     0.00   0.00  -0.01    -0.01  -0.00  -0.13     0.00  -0.00  -0.02
    20   1    -0.01   0.00   0.03    -0.22  -0.03   0.86    -0.03  -0.01   0.14
    21   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00    -0.02  -0.03   0.00
    22   6     0.20  -0.13  -0.01    -0.01   0.01   0.00    -0.02  -0.02   0.00
    23   6     0.02   0.03  -0.01    -0.00  -0.00   0.00    -0.04   0.02   0.00
    24   8    -0.15   0.04   0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
    25   6     0.09   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.00
    26   1    -0.42  -0.03   0.05     0.04   0.01  -0.00    -0.21  -0.07   0.03
    27   1    -0.24   0.23   0.00     0.02  -0.02   0.00    -0.23   0.16   0.01
    28   1     0.15   0.07  -0.02    -0.01  -0.00   0.00     0.10   0.07  -0.02
    29   1    -0.26  -0.02   0.05     0.02  -0.00  -0.01     0.00   0.00   0.00
    30   1    -0.27  -0.02   0.02     0.02  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.08   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.02   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1384.9060              1404.5801              1412.7643
 Red. masses --      2.4156                 2.4699                 1.3958
 Frc consts  --      2.7297                 2.8709                 1.6414
 IR Inten    --     21.4851                 8.3361                 4.8830
 RamAct Fr= 1--     90.5474                95.6869                24.8718
  Dep-P Fr= 1--      0.2052                 0.2042                 0.2378
  Dep-U Fr= 1--      0.3405                 0.3391                 0.3842
 Alpha2 Fr= 1--      1.2128                 1.2851                 0.3050
 Beta2  Fr= 1--      5.1389                 5.4082                 1.5926
 AlphaG Fr= 1--     -0.5833                 0.4533                 0.2360
 Gamma2 Fr= 1--     -1.4558                 0.9305                 3.3161
 Delta2 Fr= 1--      9.0969                 2.4264                 2.2061
 Raman1 Fr= 1--     362.190                382.748                 99.487
 ROA1   Fr= 1--     151.345                166.970                388.941
 CID1   Fr= 1--       0.418                  0.436                  3.909
 Raman2 Fr= 1--      61.666                 64.898                 19.111
 ROA2   Fr= 1--    -107.714                  2.920                 61.938
 CID2   Fr= 1--      -1.747                  0.045                  3.241
 Raman3 Fr= 1--     123.333                129.796                 38.221
 ROA3   Fr= 1--     151.345                166.970                388.941
 CID3   Fr= 1--       1.227                  1.286                 10.176
 RC180  Fr= 1--      -0.319                 -0.322                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.12  -0.01    -0.03  -0.08   0.01     0.01  -0.03   0.00
     2   6    -0.04  -0.05   0.01    -0.07   0.14  -0.01     0.02   0.02  -0.00
     3   6     0.06  -0.08   0.00     0.07   0.00  -0.01    -0.05  -0.02   0.01
     4   6     0.02   0.09  -0.02    -0.03   0.07  -0.01     0.03   0.04  -0.01
     5   6     0.01   0.03  -0.00    -0.05   0.04   0.00     0.04  -0.04  -0.00
     6   6    -0.08  -0.03   0.01     0.00  -0.09   0.01    -0.03   0.01   0.00
     7   6    -0.13  -0.05   0.02     0.10  -0.03  -0.01    -0.04   0.02   0.00
     8   1    -0.00  -0.10   0.01    -0.43  -0.14   0.06     0.12   0.02  -0.01
     9   1     0.32  -0.25  -0.01     0.32  -0.32  -0.00    -0.08   0.08   0.00
    10   1     0.45   0.13  -0.07    -0.00  -0.10   0.01    -0.02   0.02  -0.00
    11   6     0.05  -0.05  -0.01     0.05  -0.04  -0.01    -0.00  -0.00  -0.01
    12   6    -0.02  -0.00   0.02     0.00  -0.05  -0.00     0.03  -0.11  -0.04
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.02    -0.01  -0.00   0.02
    14   1    -0.41   0.27   0.02    -0.25   0.17   0.00    -0.07   0.04  -0.01
    15   1     0.05   0.04  -0.02    -0.07   0.21  -0.02    -0.30   0.46   0.01
    16   1     0.05  -0.06  -0.01    -0.08   0.12   0.13    -0.21   0.34   0.31
    17   1    -0.02   0.02  -0.02     0.03   0.27   0.05     0.09   0.51   0.21
    18   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    20   1    -0.01  -0.00   0.03    -0.01   0.00   0.05    -0.01  -0.01   0.03
    21   6     0.06  -0.03  -0.00    -0.12   0.09   0.00     0.04  -0.02  -0.00
    22   6     0.09   0.17  -0.03    -0.06  -0.07   0.01     0.02  -0.00  -0.00
    23   6    -0.00  -0.10   0.01     0.17   0.03  -0.02    -0.05  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    25   6    -0.01   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    26   1     0.24   0.06  -0.03     0.02  -0.06   0.00     0.09   0.06  -0.02
    27   1     0.26  -0.21  -0.01     0.22  -0.22  -0.00    -0.06   0.08  -0.00
    28   1    -0.09  -0.14   0.03    -0.20  -0.08   0.03     0.17   0.05  -0.03
    29   1     0.00  -0.03  -0.03     0.07   0.01  -0.00    -0.04  -0.00   0.00
    30   1     0.01  -0.02   0.04     0.07   0.01  -0.02    -0.04  -0.00   0.01
    31   1    -0.07  -0.08   0.02     0.08   0.14  -0.02    -0.02  -0.05   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.7581              1454.4901              1480.3465
 Red. masses --      3.3086                 3.8071                 1.2123
 Frc consts  --      3.9073                 4.7453                 1.5653
 IR Inten    --      6.2735                 0.6858                 6.9812
 RamAct Fr= 1--    430.7250               271.1499                13.0145
  Dep-P Fr= 1--      0.1996                 0.2612                 0.4047
  Dep-U Fr= 1--      0.3327                 0.4142                 0.5762
 Alpha2 Fr= 1--      5.8560                 3.1140                 0.0948
 Beta2  Fr= 1--     23.8863                18.7174                 1.2498
 AlphaG Fr= 1--      3.8022                -0.1693                 0.0547
 Gamma2 Fr= 1--      5.8232                 9.2427                -0.9683
 Delta2 Fr= 1--     -6.1185                -1.3717                 0.3613
 Raman1 Fr= 1--    1722.900               1084.599                 52.058
 ROA1   Fr= 1--     363.239                843.400                -81.391
 CID1   Fr= 1--       0.211                  0.778                 -1.563
 Raman2 Fr= 1--     286.636                224.609                 14.998
 ROA2   Fr= 1--     188.706                232.798                -26.129
 CID2   Fr= 1--       0.658                  1.036                 -1.742
 Raman3 Fr= 1--     573.272                449.218                 29.996
 ROA3   Fr= 1--     363.239                843.400                -81.391
 CID3   Fr= 1--       0.634                  1.877                 -2.713
 RC180  Fr= 1--      -0.335                 -0.172                  0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21  -0.02    -0.17   0.02   0.02    -0.02  -0.00   0.00
     2   6     0.03  -0.19   0.02     0.18  -0.04  -0.02     0.01  -0.01  -0.00
     3   6     0.12   0.06  -0.02     0.14  -0.04  -0.01    -0.02  -0.01   0.00
     4   6    -0.11  -0.16   0.03     0.01   0.16  -0.02     0.03   0.01  -0.00
     5   6    -0.13   0.10   0.00    -0.15  -0.04   0.02     0.01   0.01  -0.00
     6   6     0.14   0.01  -0.02     0.16  -0.00  -0.02    -0.03  -0.00   0.00
     7   6     0.03  -0.06   0.00    -0.10   0.02   0.01    -0.01   0.03  -0.00
     8   1     0.10   0.07  -0.02    -0.45  -0.21   0.07     0.06   0.01  -0.01
     9   1     0.04  -0.08   0.01     0.00  -0.21   0.02     0.05  -0.03  -0.00
    10   1     0.06  -0.03  -0.00    -0.25  -0.14   0.04     0.08   0.03  -0.01
    11   6     0.02   0.02  -0.01     0.03  -0.05   0.00    -0.01   0.00   0.00
    12   6     0.01  -0.07  -0.04    -0.00   0.02   0.02     0.00   0.00  -0.00
    13   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.25  -0.10   0.01    -0.28   0.13  -0.00    -0.02   0.01   0.00
    15   1    -0.17   0.30  -0.01     0.05  -0.07   0.01    -0.03  -0.01   0.02
    16   1    -0.10   0.24   0.23    -0.03  -0.04  -0.06    -0.00  -0.02  -0.02
    17   1     0.06   0.34   0.16    -0.01  -0.03  -0.08     0.00  -0.00   0.03
    18   8     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.01   0.00   0.03    -0.01   0.01   0.02    -0.00  -0.00   0.00
    21   6    -0.02  -0.03   0.00     0.13   0.03  -0.02     0.04  -0.04  -0.00
    22   6    -0.03   0.06  -0.00    -0.06  -0.16   0.02     0.01  -0.00  -0.00
    23   6     0.00   0.03  -0.00    -0.14   0.06   0.01     0.01   0.01  -0.00
    24   8     0.02  -0.01  -0.00     0.02   0.04  -0.01    -0.04  -0.01   0.01
    25   6    -0.02  -0.01   0.00     0.01  -0.02   0.00    -0.07  -0.06   0.01
    26   1    -0.36  -0.18   0.06     0.14   0.10  -0.03    -0.09   0.01   0.01
    27   1    -0.02  -0.04   0.01    -0.09   0.25  -0.02    -0.15   0.14   0.00
    28   1    -0.35  -0.08   0.05     0.30   0.22  -0.06    -0.04  -0.01   0.01
    29   1     0.07   0.01  -0.01    -0.03   0.05   0.05     0.46   0.27   0.09
    30   1     0.07   0.01  -0.01    -0.05   0.04  -0.05     0.42   0.23  -0.25
    31   1     0.02   0.06  -0.01     0.02  -0.00  -0.00     0.26   0.50  -0.08
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1496.2050              1497.7976              1506.3530
 Red. masses --      1.0465                 1.0488                 1.0590
 Frc consts  --      1.3803                 1.3863                 1.4158
 IR Inten    --      8.0745                11.0270                48.3089
 RamAct Fr= 1--     11.8095                 4.2666                15.0937
  Dep-P Fr= 1--      0.7499                 0.7388                 0.4818
  Dep-U Fr= 1--      0.8571                 0.8498                 0.6503
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0810
 Beta2  Fr= 1--      1.6870                 0.6043                 1.6358
 AlphaG Fr= 1--      0.0023                 0.0137                -0.0107
 Gamma2 Fr= 1--     -0.0038                 1.1557                 0.3318
 Delta2 Fr= 1--     -0.0077                -1.1649                 0.1040
 Raman1 Fr= 1--      47.238                 17.067                 60.375
 ROA1   Fr= 1--      -0.615                 73.673                 35.176
 CID1   Fr= 1--      -0.013                  4.317                  0.583
 Raman2 Fr= 1--      20.243                  7.251                 19.630
 ROA2   Fr= 1--      -0.030                 37.057                  7.131
 CID2   Fr= 1--      -0.001                  5.110                  0.363
 Raman3 Fr= 1--      40.487                 14.503                 39.259
 ROA3   Fr= 1--      -0.615                 73.673                 35.176
 CID3   Fr= 1--      -0.015                  5.080                  0.896
 RC180  Fr= 1--       0.714                  0.700                  0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.03  -0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.03  -0.00   0.00     0.04   0.01  -0.01
    11   6    -0.00  -0.00   0.00    -0.02   0.00   0.01    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.03   0.03    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.04  -0.07  -0.02     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.55   0.25  -0.33     0.01   0.02  -0.01
    16   1     0.00   0.00   0.00     0.06   0.30   0.38     0.02   0.01   0.02
    17   1    -0.00  -0.00  -0.00    -0.08  -0.13  -0.49    -0.00  -0.01  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    24   8    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.00
    25   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00     0.03  -0.04   0.00
    26   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    27   1    -0.00  -0.00  -0.02     0.01  -0.01  -0.00     0.01  -0.01   0.00
    28   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    29   1    -0.47   0.10   0.12     0.03   0.01  -0.00    -0.14   0.53   0.34
    30   1     0.48  -0.08   0.02     0.03   0.01  -0.01    -0.23   0.46  -0.40
    31   1     0.08   0.07   0.71     0.02   0.04  -0.01    -0.17  -0.35   0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.1466              1525.0152              1545.9510
 Red. masses --      1.0532                 2.4713                 3.3862
 Frc consts  --      1.4152                 3.3863                 4.7682
 IR Inten    --      8.7097                19.5819                81.9530
 RamAct Fr= 1--     11.1839               136.6533                20.5491
  Dep-P Fr= 1--      0.4099                 0.2723                 0.1705
  Dep-U Fr= 1--      0.5815                 0.4280                 0.2914
 Alpha2 Fr= 1--      0.0799                 1.5204                 0.3014
 Beta2  Fr= 1--      1.0839                 9.7481                 0.9979
 AlphaG Fr= 1--      0.2384                 0.2988                 0.4806
 Gamma2 Fr= 1--      2.2934                 3.3326                 2.6139
 Delta2 Fr= 1--      2.5048                -0.2049                -0.5918
 Raman1 Fr= 1--      44.735                546.613                 82.196
 ROA1   Fr= 1--     300.323                313.371                231.994
 CID1   Fr= 1--       6.713                  0.573                  2.822
 Raman2 Fr= 1--      13.006                116.978                 11.975
 ROA2   Fr= 1--      35.004                 81.621                 67.467
 CID2   Fr= 1--       2.691                  0.698                  5.634
 Raman3 Fr= 1--      26.013                233.956                 23.949
 ROA3   Fr= 1--     300.323                313.371                231.994
 CID3   Fr= 1--      11.545                  1.339                  9.687
 RC180  Fr= 1--       0.163                 -0.144                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.06  -0.01   0.01    -0.15  -0.04   0.02
     2   6     0.01  -0.00  -0.00     0.14   0.03  -0.02    -0.11  -0.05   0.02
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03   0.01     0.02  -0.07   0.00
     4   6     0.01   0.01   0.00     0.13  -0.05  -0.01     0.02   0.16  -0.02
     5   6    -0.00  -0.00   0.00    -0.06   0.12  -0.01     0.04  -0.12   0.01
     6   6    -0.00  -0.00  -0.00    -0.13  -0.09   0.02     0.07   0.08  -0.02
     7   6    -0.00  -0.00   0.00     0.06   0.04  -0.01     0.16   0.11  -0.03
     8   1    -0.05  -0.02   0.01     0.27   0.06  -0.04    -0.07  -0.11   0.02
     9   1     0.01  -0.01   0.00     0.39  -0.29  -0.01    -0.20   0.10   0.01
    10   1     0.00  -0.00  -0.00     0.45   0.07  -0.06    -0.25  -0.01   0.03
    11   6    -0.02  -0.00  -0.02    -0.04   0.01   0.01     0.00  -0.03   0.00
    12   6    -0.03   0.01  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    14   1     0.02   0.02   0.02     0.01  -0.02  -0.00    -0.13   0.05  -0.01
    15   1    -0.09   0.37  -0.07     0.07   0.01  -0.04     0.02   0.03  -0.01
    16   1     0.64  -0.05   0.21    -0.02   0.03   0.03     0.02   0.01   0.02
    17   1     0.00  -0.42   0.46    -0.01  -0.02  -0.08    -0.00  -0.03  -0.01
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01    -0.01  -0.01   0.01    -0.00   0.01   0.01
    21   6     0.00   0.01  -0.00     0.05  -0.05  -0.00     0.04  -0.16   0.01
    22   6    -0.00  -0.01   0.00    -0.14  -0.02   0.02    -0.09   0.17  -0.01
    23   6    -0.00   0.00  -0.00     0.02   0.05  -0.01     0.10  -0.03  -0.01
    24   8    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.03  -0.02  -0.00
    25   6    -0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1     0.01   0.00  -0.00    -0.23  -0.04   0.03    -0.50  -0.08   0.07
    27   1     0.01   0.00  -0.00    -0.26   0.23   0.01    -0.40   0.22   0.02
    28   1     0.00   0.01  -0.00    -0.12   0.02   0.01    -0.29  -0.15   0.05
    29   1     0.00  -0.01  -0.01    -0.13  -0.18  -0.09    -0.09  -0.07  -0.03
    30   1     0.00  -0.01   0.01    -0.10  -0.16   0.15    -0.08  -0.06   0.07
    31   1     0.00   0.01  -0.00    -0.05  -0.11   0.02    -0.07  -0.13   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.0419              1653.7307              1676.1153
 Red. masses --      6.7411                 5.6835                 6.2586
 Frc consts  --     10.2828                 9.1579                10.3595
 IR Inten    --      9.3939               114.6948                58.0548
 RamAct Fr= 1--     71.5503                11.9499               420.1929
  Dep-P Fr= 1--      0.4967                 0.6813                 0.3750
  Dep-U Fr= 1--      0.6638                 0.8104                 0.5455
 Alpha2 Fr= 1--      0.3587                 0.0145                 3.3955
 Beta2  Fr= 1--      7.9154                 1.6141                38.1993
 AlphaG Fr= 1--      0.7727                 0.0720                 1.9398
 Gamma2 Fr= 1--     -1.5792                -1.5409                12.4256
 Delta2 Fr= 1--     -4.0713                -5.7100                -1.2595
 Raman1 Fr= 1--     286.201                 47.800               1680.771
 ROA1   Fr= 1--    -281.886               -330.648               1152.553
 CID1   Fr= 1--      -0.985                 -6.917                  0.686
 Raman2 Fr= 1--      94.985                 19.369                458.392
 ROA2   Fr= 1--      -5.331                  8.698                308.291
 CID2   Fr= 1--      -0.056                  0.449                  0.673
 Raman3 Fr= 1--     189.971                 38.738                916.784
 ROA3   Fr= 1--    -281.886               -330.648               1152.553
 CID3   Fr= 1--      -1.484                 -8.535                  1.257
 RC180  Fr= 1--       0.328                  0.621                  0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.28  -0.03    -0.01   0.03  -0.00     0.25   0.06  -0.04
     2   6     0.07  -0.27   0.02    -0.03  -0.01   0.00    -0.25  -0.05   0.03
     3   6    -0.13  -0.16   0.03     0.20   0.09  -0.03    -0.22  -0.08   0.04
     4   6     0.08   0.21  -0.03    -0.20  -0.08   0.03     0.15   0.07  -0.03
     5   6     0.15  -0.15  -0.00     0.23  -0.08  -0.02    -0.17   0.05   0.01
     6   6    -0.14   0.09   0.01    -0.22   0.02   0.02     0.23   0.02  -0.03
     7   6     0.13  -0.11  -0.00    -0.21  -0.01   0.03    -0.24  -0.04   0.03
     8   1     0.37  -0.02  -0.04    -0.31  -0.04   0.04     0.34   0.07  -0.05
     9   1    -0.14   0.15  -0.00    -0.18   0.33  -0.02     0.10  -0.21   0.01
    10   1     0.15   0.19  -0.04     0.17   0.15  -0.04    -0.26  -0.13   0.05
    11   6    -0.01  -0.02   0.00     0.03   0.01  -0.01    -0.01  -0.01   0.01
    12   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.00  -0.00
    14   1    -0.14   0.05  -0.01     0.09  -0.02   0.01    -0.08   0.02  -0.01
    15   1     0.01   0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00  -0.00
    16   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.02   0.01  -0.00
    17   1     0.00   0.00  -0.04     0.00   0.03   0.03    -0.00  -0.01  -0.02
    18   8    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.01  -0.01   0.03
    21   6    -0.19   0.19   0.00     0.20  -0.04  -0.02     0.16  -0.03  -0.02
    22   6    -0.02  -0.24   0.03    -0.21  -0.12   0.04    -0.14  -0.08   0.03
    23   6     0.06   0.16  -0.02     0.22   0.11  -0.04     0.22   0.08  -0.04
    24   8    -0.01   0.02  -0.00     0.02   0.02  -0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.10  -0.19   0.03     0.19   0.12  -0.04     0.29   0.12  -0.05
    27   1     0.25  -0.22  -0.01    -0.14   0.28  -0.01    -0.06   0.18  -0.01
    28   1    -0.21   0.08   0.02    -0.31  -0.04   0.04    -0.29  -0.08   0.04
    29   1    -0.00   0.01   0.01    -0.07  -0.06  -0.02    -0.05  -0.04  -0.02
    30   1    -0.01   0.01  -0.02    -0.06  -0.05   0.05    -0.04  -0.03   0.04
    31   1     0.03   0.03  -0.01     0.00  -0.03   0.00     0.01  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.3318              3010.9878              3045.5518
 Red. masses --     10.0647                 1.0347                 1.0362
 Frc consts  --     19.9530                 5.5267                 5.6625
 IR Inten    --    486.0353                64.9745                12.5647
 RamAct Fr= 1--     21.2878               276.1606               193.1265
  Dep-P Fr= 1--      0.2903                 0.0507                 0.0212
  Dep-U Fr= 1--      0.4499                 0.0966                 0.0416
 Alpha2 Fr= 1--      0.2247                 5.4455                 4.0837
 Beta2  Fr= 1--      1.5963                 4.4446                 1.3374
 AlphaG Fr= 1--      0.6346                 0.7192                 0.1703
 Gamma2 Fr= 1--      2.8146                 2.6352                 1.7404
 Delta2 Fr= 1--      0.4703                -1.1242                 0.3664
 Raman1 Fr= 1--      85.151               1104.642                772.506
 ROA1   Fr= 1--     285.247                217.002                178.800
 CID1   Fr= 1--       3.350                  0.196                  0.231
 Raman2 Fr= 1--      19.156                 53.335                 16.049
 ROA2   Fr= 1--      63.787                 72.238                 38.838
 CID2   Fr= 1--       3.330                  1.354                  2.420
 Raman3 Fr= 1--      38.311                106.669                 32.098
 ROA3   Fr= 1--     285.247                217.002                178.800
 CID3   Fr= 1--       7.445                  2.034                  5.570
 RC180  Fr= 1--      -0.100                 -0.807                 -0.917
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.01  -0.02     0.00   0.00  -0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    13   6     0.71   0.16   0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.14   0.05   0.12    -0.00  -0.00   0.00    -0.05  -0.08   0.08
    15   1    -0.06   0.06   0.01     0.00   0.00   0.00     0.25   0.10   0.51
    16   1     0.00   0.00   0.02     0.00   0.00  -0.00     0.20   0.46  -0.45
    17   1     0.02   0.03   0.05    -0.00   0.00   0.00    -0.44   0.02   0.05
    18   8    -0.45  -0.10  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.05  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.09  -0.02   0.44     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.11  -0.31   0.59    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.02  -0.43  -0.52     0.00   0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.25   0.15   0.01     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.0151              3068.1186              3109.2535
 Red. masses --      1.0830                 1.1060                 1.1017
 Frc consts  --      5.9906                 6.1341                 6.2749
 IR Inten    --      5.6360                34.3698                18.9957
 RamAct Fr= 1--     94.4883                84.8490                53.2407
  Dep-P Fr= 1--      0.3022                 0.7498                 0.3405
  Dep-U Fr= 1--      0.4642                 0.8570                 0.5080
 Alpha2 Fr= 1--      0.9627                 0.0002                 0.4820
 Beta2  Fr= 1--      7.3096                12.1198                 4.5075
 AlphaG Fr= 1--      2.0215                 0.0632                -1.6673
 Gamma2 Fr= 1--     -4.4016                 3.3558                 2.2112
 Delta2 Fr= 1--      1.6857                 2.8612                -0.2941
 Raman1 Fr= 1--     377.953                339.396                212.963
 ROA1   Fr= 1--    -368.612                413.718                202.867
 CID1   Fr= 1--      -0.975                  1.219                  0.953
 Raman2 Fr= 1--      87.715                145.438                 54.090
 ROA2   Fr= 1--    -119.124                 57.650                 55.423
 CID2   Fr= 1--      -1.358                  0.396                  1.025
 Raman3 Fr= 1--     175.429                290.876                108.181
 ROA3   Fr= 1--    -368.612                413.718                202.867
 CID3   Fr= 1--      -2.101                  1.422                  1.875
 RC180  Fr= 1--      -0.072                  0.714                  0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.00
     9   1     0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03   0.05  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.01   0.03  -0.09
    13   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.39  -0.63   0.63     0.00   0.00  -0.00    -0.08  -0.13   0.12
    15   1    -0.08  -0.03  -0.15     0.00   0.00   0.00     0.30   0.13   0.56
    16   1     0.02   0.04  -0.04     0.00   0.00  -0.00    -0.21  -0.49   0.46
    17   1     0.14  -0.01  -0.01    -0.00   0.00   0.00    -0.19   0.02   0.00
    18   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00     0.13  -0.35   0.60     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.01   0.47   0.53     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.1829              3137.9212              3164.5384
 Red. masses --      1.1022                 1.0990                 1.0866
 Frc consts  --      6.3505                 6.3758                 6.4109
 IR Inten    --     14.9032                22.8755                 3.1473
 RamAct Fr= 1--    132.1273               181.9831                74.6221
  Dep-P Fr= 1--      0.5379                 0.4410                 0.6280
  Dep-U Fr= 1--      0.6995                 0.6120                 0.7715
 Alpha2 Fr= 1--      0.5399                 1.1564                 0.1657
 Beta2  Fr= 1--     15.4048                18.5636                 9.5954
 AlphaG Fr= 1--      0.5332                -0.2305                -0.0237
 Gamma2 Fr= 1--     -5.9363                -1.1462                -0.2467
 Delta2 Fr= 1--      5.3649                -1.3867                 2.2166
 Raman1 Fr= 1--     528.509                727.933                298.488
 ROA1   Fr= 1--    -398.207               -154.410                 47.249
 CID1   Fr= 1--      -0.753                 -0.212                  0.158
 Raman2 Fr= 1--     184.857                222.763                115.145
 ROA2   Fr= 1--    -185.391                -16.416                -23.653
 CID2   Fr= 1--      -1.003                 -0.074                 -0.205
 Raman3 Fr= 1--     369.715                445.526                230.289
 ROA3   Fr= 1--    -398.207               -154.410                 47.249
 CID3   Fr= 1--      -1.077                 -0.347                  0.205
 RC180  Fr= 1--       0.399                  0.224                  0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
     9   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.55   0.58  -0.13
    10   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.55   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1     0.02   0.03  -0.03    -0.00  -0.00   0.00     0.01   0.01  -0.01
    15   1     0.19   0.08   0.41    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.04   0.12  -0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.86  -0.06  -0.10    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.00
    29   1     0.00  -0.00   0.00     0.02  -0.08   0.17     0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00    -0.02  -0.11  -0.15    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.83  -0.48  -0.05     0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3171.0395              3178.0131              3182.4575
 Red. masses --      1.0892                 1.0888                 1.0946
 Frc consts  --      6.4529                 6.4790                 6.5319
 IR Inten    --      3.9443                11.7276                 9.2907
 RamAct Fr= 1--     41.5294                64.5390               145.7864
  Dep-P Fr= 1--      0.4709                 0.4108                 0.1882
  Dep-U Fr= 1--      0.6403                 0.5824                 0.3168
 Alpha2 Fr= 1--      0.2335                 0.4597                 2.0425
 Beta2  Fr= 1--      4.4317                 6.2647                 7.6963
 AlphaG Fr= 1--      0.0716                 0.1232                -0.0298
 Gamma2 Fr= 1--      0.5303                 1.6464                -1.1671
 Delta2 Fr= 1--     -0.8412                 2.1273                -1.4379
 Raman1 Fr= 1--     166.118                258.156                583.146
 ROA1   Fr= 1--      23.995                226.125               -158.053
 CID1   Fr= 1--       0.144                  0.876                 -0.271
 Raman2 Fr= 1--      53.180                 75.176                 92.356
 ROA2   Fr= 1--      19.457                 22.495                -16.507
 CID2   Fr= 1--       0.366                  0.299                 -0.179
 Raman3 Fr= 1--     106.360                150.353                184.712
 ROA3   Fr= 1--      23.995                226.125               -158.053
 CID3   Fr= 1--       0.226                  1.504                 -0.856
 RC180  Fr= 1--       0.281                  0.165                 -0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.01   0.02  -0.00     0.02  -0.08   0.00    -0.00   0.01  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.01
     6   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.07   0.00
     7   6     0.02  -0.08   0.01     0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.07  -0.24   0.01    -0.27   0.91  -0.05     0.04  -0.14   0.01
     9   1    -0.01  -0.01   0.00     0.07   0.08  -0.02     0.38   0.40  -0.09
    10   1     0.00  -0.01   0.00    -0.03   0.10  -0.01    -0.23   0.75  -0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.01   0.01     0.02   0.04  -0.03    -0.00  -0.00   0.00
    17   1    -0.01   0.00   0.00     0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.27   0.91  -0.06    -0.07   0.23  -0.02     0.00  -0.01   0.00
    27   1    -0.11  -0.13   0.03    -0.03  -0.04   0.01     0.00   0.01  -0.00
    28   1    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.06  -0.20   0.01
    29   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9464              3216.3957              3679.3945
 Red. masses --      1.0905                 1.0911                 1.0651
 Frc consts  --      6.5337                 6.6508                 8.4957
 IR Inten    --      5.6399                 6.5028               204.1033
 RamAct Fr= 1--    171.2826               143.0508               258.0491
  Dep-P Fr= 1--      0.2360                 0.2383                 0.2705
  Dep-U Fr= 1--      0.3818                 0.3849                 0.4258
 Alpha2 Fr= 1--      2.1107                 1.7515                 2.8857
 Beta2  Fr= 1--     10.9002                 9.1759                18.3130
 AlphaG Fr= 1--     -0.2824                 0.2044                 5.6869
 Gamma2 Fr= 1--     -3.1909                 2.0379                58.5392
 Delta2 Fr= 1--     -0.8403                 0.5931                 7.5629
 Raman1 Fr= 1--     685.131                572.203               1032.196
 ROA1   Fr= 1--    -333.217                214.620               5861.779
 CID1   Fr= 1--      -0.486                  0.375                  5.679
 Raman2 Fr= 1--     130.803                110.110                219.756
 ROA2   Fr= 1--     -69.860                 44.166               1344.439
 CID2   Fr= 1--      -0.534                  0.401                  6.118
 Raman3 Fr= 1--     261.605                220.221                439.511
 ROA3   Fr= 1--    -333.217                214.620               5861.779
 CID3   Fr= 1--      -1.274                  0.975                 13.337
 RC180  Fr= 1--      -0.236                 -0.230                 -0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.05   0.18  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01  -0.01
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.96   0.15   0.21
    21   6    -0.00   0.00   0.00    -0.06  -0.06   0.01    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.08   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.00    -0.05   0.17  -0.01    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.65   0.71  -0.15     0.00   0.00  -0.00
    28   1    -0.30   0.92  -0.06    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1250.191378874.316409286.09398
           X            0.99994  -0.00027  -0.01089
           Y            0.00030   1.00000   0.00290
           Z            0.01089  -0.00290   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06928     0.00976     0.00933
 Rotational constants (GHZ):           1.44357     0.20337     0.19435
 Zero-point vibrational energy     658483.7 (Joules/Mol)
                                  157.38137 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.13    56.45    66.43   107.94   181.84
          (Kelvin)            194.72   262.73   310.98   323.34   347.92
                              374.47   400.62   446.60   498.02   561.55
                              600.18   633.28   656.26   697.45   770.78
                              814.49   823.69   861.97   894.91   926.70
                              994.26  1029.80  1080.56  1107.52  1128.65
                             1170.69  1180.90  1204.33  1229.81  1293.18
                             1320.89  1350.34  1367.35  1403.86  1409.20
                             1457.78  1539.00  1550.13  1570.33  1676.10
                             1687.05  1699.87  1709.17  1720.98  1725.80
                             1735.65  1816.64  1867.03  1875.83  1881.66
                             1911.17  1934.96  1992.57  2020.88  2032.65
                             2036.96  2092.69  2129.89  2152.71  2155.00
                             2167.31  2172.76  2194.16  2224.28  2315.05
                             2379.35  2411.56  2639.19  4332.14  4381.87
                             4408.43  4414.34  4473.52  4499.32  4514.77
                             4553.06  4562.42  4572.45  4578.85  4588.18
                             4627.68  5293.83
 
 Zero-point correction=                           0.250803 (Hartree/Particle)
 Thermal correction to Energy=                    0.266010
 Thermal correction to Enthalpy=                  0.266954
 Thermal correction to Gibbs Free Energy=         0.206996
 Sum of electronic and zero-point Energies=           -767.719224
 Sum of electronic and thermal Energies=              -767.704017
 Sum of electronic and thermal Enthalpies=            -767.703073
 Sum of electronic and thermal Free Energies=         -767.763031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.924             58.559            126.192
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.999
 Vibrational            165.147             52.597             50.992
 Vibration     1          0.593              1.985              6.355
 Vibration     2          0.594              1.981              5.297
 Vibration     3          0.595              1.979              4.975
 Vibration     4          0.599              1.966              4.017
 Vibration     5          0.611              1.927              3.000
 Vibration     6          0.613              1.918              2.869
 Vibration     7          0.630              1.863              2.302
 Vibration     8          0.645              1.816              1.991
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.658              1.776              1.789
 Vibration    11          0.668              1.745              1.660
 Vibration    12          0.679              1.713              1.543
 Vibration    13          0.699              1.654              1.360
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.800              1.383              0.826
 Vibration    18          0.814              1.347              0.777
 Vibration    19          0.841              1.284              0.697
 Vibration    20          0.891              1.171              0.575
 Vibration    21          0.922              1.105              0.512
 Vibration    22          0.929              1.091              0.499
 Vibration    23          0.957              1.034              0.451
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.614271D-95        -95.211640       -219.232902
 Total V=0       0.141161D+21         20.149713         46.396429
 Vib (Bot)       0.123234-109       -109.909270       -253.075447
 Vib (Bot)    1  0.899538D+01          0.954020          2.196712
 Vib (Bot)    2  0.527403D+01          0.722142          1.662794
 Vib (Bot)    3  0.447897D+01          0.651178          1.499392
 Vib (Bot)    4  0.274721D+01          0.438892          1.010586
 Vib (Bot)    5  0.161450D+01          0.208037          0.479023
 Vib (Bot)    6  0.150429D+01          0.177332          0.408322
 Vib (Bot)    7  0.109894D+01          0.040972          0.094342
 Vib (Bot)    8  0.916617D+00         -0.037812         -0.087065
 Vib (Bot)    9  0.878418D+00         -0.056299         -0.129632
 Vib (Bot)   10  0.810202D+00         -0.091407         -0.210472
 Vib (Bot)   11  0.746164D+00         -0.127165         -0.292809
 Vib (Bot)   12  0.691047D+00         -0.160492         -0.369548
 Vib (Bot)   13  0.609046D+00         -0.215350         -0.495861
 Vib (Bot)   14  0.534342D+00         -0.272181         -0.626720
 Vib (Bot)   15  0.459887D+00         -0.337348         -0.776773
 Vib (Bot)   16  0.421847D+00         -0.374845         -0.863112
 Vib (Bot)   17  0.392706D+00         -0.405933         -0.934695
 Vib (Bot)   18  0.374093D+00         -0.427021         -0.983252
 Vib (Bot)   19  0.343606D+00         -0.463939         -1.068259
 Vib (Bot)   20  0.296941D+00         -0.527330         -1.214222
 Vib (Bot)   21  0.272916D+00         -0.563971         -1.298592
 Vib (Bot)   22  0.268171D+00         -0.571588         -1.316131
 Vib (Bot)   23  0.249472D+00         -0.602978         -1.388407
 Vib (V=0)       0.283193D+06          5.452083         12.553884
 Vib (V=0)    1  0.950927D+01          0.978147          2.252267
 Vib (V=0)    2  0.579768D+01          0.763254          1.757457
 Vib (V=0)    3  0.500679D+01          0.699559          1.610795
 Vib (V=0)    4  0.329234D+01          0.517505          1.191599
 Vib (V=0)    5  0.219015D+01          0.340473          0.783969
 Vib (V=0)    6  0.208521D+01          0.319150          0.734870
 Vib (V=0)    7  0.170734D+01          0.232319          0.534934
 Vib (V=0)    8  0.154412D+01          0.188681          0.434454
 Vib (V=0)    9  0.151075D+01          0.179193          0.412607
 Vib (V=0)   10  0.145206D+01          0.161986          0.372986
 Vib (V=0)   11  0.139820D+01          0.145569          0.335185
 Vib (V=0)   12  0.135296D+01          0.131286          0.302297
 Vib (V=0)   13  0.128800D+01          0.109914          0.253087
 Vib (V=0)   14  0.123179D+01          0.090538          0.208471
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115418D+01          0.062275          0.143393
 Vib (V=0)   17  0.113578D+01          0.055295          0.127321
 Vib (V=0)   18  0.112446D+01          0.050942          0.117299
 Vib (V=0)   19  0.110668D+01          0.044024          0.101368
 Vib (V=0)   20  0.108153D+01          0.034037          0.078374
 Vib (V=0)   21  0.106963D+01          0.029235          0.067317
 Vib (V=0)   22  0.106738D+01          0.028317          0.065203
 Vib (V=0)   23  0.105878D+01          0.024806          0.057118
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.363344D+07          6.560318         15.105690
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          211111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     7          188776320664 1                              3750421099851108420096099887697717753195321875194297638541941764218327432
     9          692815879846 1                              4649650686046355588483696813517039609895714401614292665607060802563565693
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003989    0.000000933    0.000000255
      2        6          -0.000000638   -0.000003676   -0.000000822
      3        6           0.000002610    0.000002077    0.000002020
      4        6           0.000002542   -0.000000633    0.000001022
      5        6          -0.000001957    0.000002452    0.000000269
      6        6           0.000002914    0.000001914   -0.000000990
      7        6           0.000002722   -0.000000080    0.000000028
      8        1          -0.000003078   -0.000000525   -0.000000544
      9        1           0.000001014   -0.000002837   -0.000001342
     10        1          -0.000001199   -0.000000977   -0.000002388
     11        6          -0.000005195   -0.000007918    0.000003084
     12        6           0.000002077   -0.000005763   -0.000004593
     13        6          -0.000000020    0.000006701    0.000006038
     14        1           0.000002953   -0.000000183    0.000002162
     15        1           0.000000336   -0.000000440    0.000003193
     16        1           0.000000715    0.000000715    0.000000900
     17        1           0.000000735   -0.000002420    0.000001127
     18        8           0.000001437   -0.000000889   -0.000002398
     19        8          -0.000001258   -0.000003545   -0.000011200
     20        1           0.000000343    0.000003619    0.000001786
     21        6          -0.000002548    0.000006966    0.000000459
     22        6          -0.000004130   -0.000007543    0.000001107
     23        6           0.000004440    0.000004096   -0.000001286
     24        8           0.000001019    0.000002648   -0.000000970
     25        6           0.000002715    0.000001410    0.000000115
     26        1          -0.000001586    0.000000963    0.000001348
     27        1          -0.000002940   -0.000000216    0.000001671
     28        1           0.000000138   -0.000000059   -0.000001050
     29        1           0.000000179    0.000001560    0.000000512
     30        1           0.000000060    0.000000515    0.000000474
     31        1          -0.000000412    0.000001134    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011200 RMS     0.000002860
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.317891D+03  0.148220D+02 -0.163469D+02
      2   0.148220D+02  0.174301D+03 -0.564060D+01
      3  -0.163469D+02 -0.564060D+01  0.117951D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.111798D+02 -0.294250D+02  0.127613D+02
      2   0.839932D+02  0.173295D+02  0.169551D+02
      3   0.459324D+02  0.534102D+02 -0.211232D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.347582D+03 -0.453246D+02  0.915161D+02
      2   0.162714D+03  0.240020D+02 -0.485062D+02
      3   0.184868D+03  0.213226D+02 -0.430100D+02
      4  -0.573757D+02 -0.117151D+03  0.408818D+02
      5   0.265509D+02  0.449305D+02  0.422248D+02
      6   0.124828D+02 -0.703789D+02 -0.349003D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.443619D+02  0.952078D+01 -0.378065D+01 -0.441664D+02 -0.513218D+01
      2   0.952078D+01  0.495903D+01 -0.171146D+01 -0.513218D+01 -0.540454D+01
      3  -0.378065D+01 -0.171146D+01 -0.592863D-01  0.464404D+01  0.944147D+00
                 6             7             8             9            10 
      1   0.464404D+01  0.642382D+00 -0.476330D+00  0.126627D+01 -0.364536D+02
      2   0.944147D+00 -0.476330D+00 -0.159885D+00 -0.830395D+00 -0.877298D+01
      3  -0.441439D+00  0.126627D+01 -0.830395D+00  0.179802D+00  0.306435D+01
                11            12            13            14            15 
      1  -0.877298D+01  0.306435D+01  0.483347D+02  0.610382D+01 -0.528203D+01
      2  -0.122294D+01  0.639013D+00  0.610382D+01  0.709850D+01 -0.155842D+01
      3   0.639013D+00 -0.457799D+00 -0.528203D+01 -0.155842D+01  0.422026D+00
                16            17            18            19            20 
      1  -0.445972D+00  0.460035D+00 -0.555428D+00 -0.535662D+02 -0.108650D+02
      2   0.460035D+00 -0.383901D+00  0.957081D+00 -0.108650D+02 -0.986595D+01
      3  -0.555428D+00  0.957081D+00 -0.316443D+00  0.361860D+01  0.170319D+01
                21            22            23            24            25 
      1   0.361860D+01 -0.223709D+02 -0.257349D+01  0.133409D+00  0.919118D+01
      2   0.170319D+01 -0.257349D+01 -0.620674D+01  0.583459D+00  0.366028D+00
      3  -0.744468D+00  0.133409D+00  0.583459D+00 -0.226760D+01  0.568343D+00
                26            27            28            29            30 
      1   0.366028D+00  0.568343D+00  0.612033D+02  0.587889D+01 -0.600204D+00
      2   0.125121D+01 -0.403830D+01  0.587889D+01  0.499337D+01 -0.738352D+00
      3  -0.403830D+01  0.617935D+00 -0.600204D+00 -0.738352D+00  0.222010D+01
                31            32            33            34            35 
      1   0.702060D+01  0.325336D+01  0.575195D-01 -0.514860D+01 -0.385600D+00
      2   0.325336D+01  0.164259D+02 -0.289584D+01 -0.385600D+00 -0.300791D+01
      3   0.575195D-01 -0.289584D+01  0.515829D+00  0.661613D+01  0.127676D+01
                36            37            38            39            40 
      1   0.661613D+01  0.536600D+01 -0.163272D+01 -0.154104D+00  0.119293D+02
      2   0.127676D+01 -0.163272D+01  0.138770D+02 -0.147238D+01  0.105103D+01
      3  -0.155412D+01 -0.154104D+00 -0.147238D+01  0.184732D+01  0.444380D+00
                41            42            43            44            45 
      1   0.105103D+01  0.444380D+00 -0.114156D+01  0.121466D+01  0.475519D+01
      2  -0.891019D+01  0.162845D+01  0.121466D+01 -0.617956D+00  0.221056D+01
      3   0.162845D+01  0.737970D+00  0.475519D+01  0.221056D+01 -0.249173D+01
                46            47            48            49            50 
      1  -0.925035D+01  0.254377D+01  0.140555D+01  0.227680D+01  0.367500D+01
      2   0.254377D+01 -0.973028D+01  0.200947D+01  0.367500D+01  0.607625D+00
      3   0.140555D+01  0.200947D+01 -0.170042D+01 -0.483255D+00  0.255699D+00
                51            52            53            54            55 
      1  -0.483255D+00  0.681658D+00 -0.134534D+00 -0.123999D+01  0.103975D+01
      2   0.255699D+00 -0.134534D+00  0.224824D+01  0.431930D+01 -0.319818D+01
      3   0.141910D+01 -0.123999D+01  0.431930D+01 -0.905966D+00 -0.906738D-01
                56            57            58            59            60 
      1  -0.319818D+01 -0.906738D-01 -0.381176D+01 -0.444929D+01  0.406702D+00
      2   0.550711D+01 -0.335149D+00 -0.444929D+01 -0.222943D+01  0.909045D-01
      3  -0.335149D+00  0.164840D+01  0.406702D+00  0.909045D-01 -0.135803D+01
                61            62            63            64            65 
      1   0.145197D+00  0.363340D+00  0.133712D+00  0.103593D+01 -0.216520D+01
      2   0.363340D+00 -0.142572D+01 -0.419145D+01 -0.216520D+01  0.961090D+00
      3   0.133712D+00 -0.419145D+01  0.527177D+00 -0.173521D+00  0.250746D+00
                66            67            68            69            70 
      1  -0.173521D+00 -0.285699D+01  0.299581D+01  0.114671D+00 -0.525073D+00
      2   0.250746D+00  0.299581D+01 -0.656117D+01 -0.682702D-01  0.163963D+00
      3   0.591787D-01  0.114671D+00 -0.682702D-01 -0.648668D+00 -0.120364D+00
                71            72            73            74            75 
      1   0.163963D+00 -0.120364D+00  0.623827D+01  0.348625D+01 -0.112659D+01
      2   0.411034D+00 -0.610521D-01  0.348625D+01  0.341348D+01 -0.790586D+00
      3  -0.610521D-01 -0.845079D-02 -0.112659D+01 -0.790586D+00  0.676925D+00
                76            77            78            79            80 
      1   0.416019D+01  0.453630D+01 -0.101692D+01 -0.137658D+01 -0.924060D+00
      2   0.453630D+01  0.543044D+01 -0.113191D+01 -0.924060D+00 -0.890981D+00
      3  -0.101692D+01 -0.113191D+01  0.928617D+00 -0.169954D+00  0.576543D+00
                81            82            83            84            85 
      1  -0.169954D+00 -0.840816D+00  0.160962D+01 -0.108185D+00  0.667598D+00
      2   0.576543D+00  0.160962D+01 -0.235295D+01  0.124223D+00 -0.134630D+01
      3  -0.196752D+00 -0.108185D+00  0.124223D+00 -0.167697D+00  0.219969D+00
                86            87            88            89            90 
      1  -0.134630D+01  0.219969D+00 -0.107296D+00 -0.107671D+00  0.994092D-01
      2   0.111481D+02 -0.114010D+01 -0.107671D+00 -0.999953D+00  0.315190D+00
      3  -0.114010D+01  0.993592D+00  0.994092D-01  0.315190D+00 -0.162826D+00
                91            92            93            94            95 
      1  -0.298178D+02 -0.344021D+01 -0.210565D+01 -0.803026D+00 -0.212544D+01
      2  -0.344021D+01 -0.103840D+01 -0.315715D+00 -0.212544D+01  0.117046D+01
      3  -0.210565D+01 -0.315715D+00 -0.321656D+01  0.588812D+00  0.331747D+01
                96            97            98            99           100 
      1   0.588812D+00 -0.112364D+02 -0.916229D+00 -0.670718D+01 -0.707771D+01
      2   0.331747D+01 -0.916229D+00  0.214217D+01 -0.186259D+01  0.167860D+01
      3  -0.575389D+00 -0.670718D+01 -0.186259D+01 -0.512076D+00  0.191654D+01
               101           102           103           104           105 
      1   0.167860D+01  0.191654D+01 -0.224050D+01  0.222872D+01  0.640174D+00
      2   0.172004D+01  0.827184D+00  0.222872D+01 -0.142806D+01 -0.333385D+01
      3   0.827184D+00  0.362947D+01  0.640174D+00 -0.333385D+01  0.979921D+00
               106           107           108           109           110 
      1   0.253384D+01  0.875674D+00  0.233243D+01 -0.437544D+01 -0.138049D+01
      2   0.875674D+00 -0.242526D+01  0.262925D+01 -0.138049D+01 -0.660092D+00
      3   0.233243D+01  0.262925D+01  0.343583D+01 -0.615289D+00 -0.523669D+00
               111           112           113           114           115 
      1  -0.615289D+00 -0.218773D+01  0.786367D+00  0.182143D-02  0.183916D+02
      2  -0.523669D+00  0.786367D+00 -0.268372D+00 -0.210851D+00  0.847734D+00
      3   0.793968D+00  0.182143D-02 -0.210851D+00  0.425872D+00  0.680686D+01
               116           117           118           119           120 
      1   0.847734D+00  0.680686D+01  0.447773D+01  0.189670D+01 -0.166814D+01
      2   0.406621D+00  0.447570D+00  0.189670D+01  0.101005D+01 -0.557330D+00
      3   0.447570D+00  0.305249D+00 -0.166814D+01 -0.557330D+00  0.171700D+01
               121           122           123           124           125 
      1   0.656292D+01  0.179830D+01 -0.131534D+01 -0.221281D+01 -0.538404D+00
      2   0.179830D+01  0.255958D+01 -0.202990D+01 -0.538404D+00 -0.191627D+01
      3  -0.131534D+01 -0.202990D+01  0.185605D+01  0.275786D+01  0.169153D+01
               126           127           128           129           130 
      1   0.275786D+01 -0.824543D+00 -0.235874D+00 -0.120624D+01  0.713589D+00
      2   0.169153D+01 -0.235874D+00 -0.110052D+01 -0.102695D+01 -0.294612D+00
      3  -0.352162D+01 -0.120624D+01 -0.102695D+01 -0.265391D+01 -0.799174D-01
               131           132           133           134           135 
      1  -0.294612D+00 -0.799174D-01 -0.155557D+01  0.356100D+00 -0.303485D+00
      2  -0.108831D+01 -0.990994D+00  0.356100D+00 -0.187002D+01 -0.260583D+01
      3  -0.990994D+00 -0.130091D+01 -0.303485D+00 -0.260583D+01 -0.746993D+01
               136           137           138           139           140 
      1  -0.129235D+00 -0.399892D+00  0.432236D+00 -0.121254D+01  0.419800D+00
      2  -0.399892D+00 -0.986401D+00  0.266189D-01  0.419800D+00 -0.436749D+01
      3   0.432236D+00  0.266189D-01 -0.783467D+00  0.496149D-01  0.151342D+01
               141           142           143           144           145 
      1   0.496149D-01  0.127786D+01 -0.766001D+00 -0.297616D+00  0.127732D+02
      2   0.151342D+01 -0.766001D+00  0.289618D+01 -0.152090D+01 -0.325991D+01
      3  -0.158715D+01 -0.297616D+00 -0.152090D+01  0.172771D+01 -0.231429D+01
               146           147           148           149           150 
      1  -0.325991D+01 -0.231429D+01 -0.182337D+01  0.132297D+01  0.112463D+00
      2   0.188574D+01  0.781108D+00  0.132297D+01 -0.511495D+00  0.824603D-02
      3   0.781108D+00  0.149104D+01  0.112463D+00  0.824603D-02 -0.971633D-01
               151           152           153           154           155 
      1  -0.137646D+01  0.203135D+00  0.129396D+01  0.199942D+02  0.281038D+01
      2   0.203135D+00  0.871665D-01 -0.570598D+00  0.281038D+01  0.232945D+01
      3   0.129396D+01 -0.570598D+00 -0.993562D+00  0.164160D+01  0.774477D+00
               156           157           158           159           160 
      1   0.164160D+01  0.404556D+01  0.438245D+01  0.248652D+00  0.246917D+01
      2   0.774477D+00  0.438245D+01  0.206636D+01  0.511509D+00  0.589599D+00
      3   0.320659D+01  0.248652D+00  0.511509D+00  0.398318D+00  0.278704D+01
               161           162           163           164           165 
      1   0.589599D+00  0.278704D+01  0.175008D+02  0.607134D+00  0.572148D+01
      2  -0.108970D+00  0.642172D+00  0.607134D+00 -0.464564D+00 -0.302966D+00
      3   0.642172D+00  0.581426D+00  0.572148D+01 -0.302966D+00  0.137085D+01
               166           167           168           169           170 
      1   0.309464D+01 -0.301088D+00  0.567348D+00 -0.371382D+00 -0.678418D+00
      2  -0.301088D+00 -0.293633D+00  0.125507D+01 -0.678418D+00  0.538415D+00
      3   0.567348D+00  0.125507D+01 -0.107410D-02  0.135911D+00  0.146967D+00
               171           172           173           174           175 
      1   0.135911D+00 -0.128885D+02  0.835312D-01 -0.329295D+01 -0.151529D+01
      2   0.146967D+00  0.835312D-01 -0.609455D-01  0.238528D+00  0.420677D+00
      3   0.687720D+01 -0.329295D+01  0.238528D+00 -0.350095D+01 -0.502762D+00
               176           177           178           179           180 
      1   0.420677D+00 -0.502762D+00 -0.838850D+01  0.642366D-01 -0.300700D+01
      2  -0.164603D+00  0.723370D+00  0.642366D-01  0.113620D+01 -0.122961D+00
      3   0.723370D+00 -0.638170D+00 -0.300700D+01 -0.122961D+00 -0.400744D-01
               181           182           183           184           185 
      1  -0.464421D+01  0.646543D+00 -0.209852D+00 -0.162774D+02 -0.228985D+01
      2   0.646543D+00 -0.104645D+02  0.844147D-01 -0.228985D+01  0.466618D+01
      3  -0.209852D+00  0.844147D-01 -0.173498D+01  0.141012D+01 -0.341841D+00
               186           187           188           189           190 
      1   0.141012D+01  0.111232D+01 -0.609488D+00 -0.435592D+01 -0.374924D+02
      2  -0.341841D+00 -0.609488D+00  0.164210D+00 -0.274279D+01 -0.595458D+01
      3  -0.118746D+01 -0.435592D+01 -0.274279D+01  0.185824D+01  0.305189D+01
               191           192           193           194           195 
      1  -0.595458D+01  0.305189D+01 -0.123349D+01 -0.347292D+01 -0.763182D+00
      2  -0.939784D+01  0.115361D+01 -0.347292D+01 -0.121817D+02  0.973355D+00
      3   0.115361D+01 -0.282992D+01 -0.763182D+00  0.973355D+00  0.394328D+00
               196           197           198           199           200 
      1   0.283240D+01  0.218851D+00 -0.743850D+01  0.396482D+02  0.108308D+02
      2   0.218851D+00  0.228789D+01 -0.787887D+00  0.108308D+02  0.771712D+01
      3  -0.743850D+01 -0.787887D+00  0.177158D+01 -0.418593D+01 -0.834241D+00
               201           202           203           204           205 
      1  -0.418593D+01  0.172825D+02  0.403641D+01 -0.191178D+01 -0.667519D+01
      2  -0.834241D+00  0.403641D+01  0.586206D+01 -0.189055D+00 -0.117445D+01
      3   0.599109D+00 -0.191178D+01 -0.189055D+00  0.202064D+01  0.177300D+00
               206           207           208           209           210 
      1  -0.117445D+01  0.177300D+00  0.679638D+01  0.403800D+01 -0.150193D+01
      2  -0.573035D+00  0.477227D+01  0.403800D+01  0.375746D+01 -0.813872D+00
      3   0.477227D+01 -0.118580D+01 -0.150193D+01 -0.813872D+00 -0.186456D+00
               211           212           213           214           215 
      1  -0.301227D+01 -0.379402D+01  0.619845D+00 -0.562110D+00 -0.815749D-02
      2  -0.379402D+01  0.118912D+01  0.274071D+00 -0.815749D-02 -0.417057D+00
      3   0.619845D+00  0.274071D+00 -0.105670D+01 -0.534105D-01  0.819470D+00
               216           217           218           219           220 
      1  -0.534105D-01 -0.153013D+01 -0.463190D+01  0.105718D+01 -0.207844D+01
      2   0.819470D+00 -0.463190D+01 -0.103011D+01  0.125383D+01  0.337340D+01
      3   0.216589D-01  0.105718D+01  0.125383D+01  0.140675D-01  0.108026D+01
               221           222           223           224           225 
      1   0.337340D+01  0.108026D+01  0.111315D+01  0.107907D+01  0.251141D+01
      2   0.165131D+01  0.666091D+00  0.107907D+01  0.951174D+00  0.441695D+01
      3   0.666091D+00  0.592563D+01  0.251141D+01  0.441695D+01 -0.218747D+01
               226           227           228           229           230 
      1   0.378655D+00 -0.151891D+01  0.112123D+00 -0.364950D+00  0.695334D+00
      2  -0.151891D+01  0.211068D+01 -0.225298D-01  0.695334D+00 -0.100577D+02
      3   0.112123D+00 -0.225298D-01  0.138357D+00 -0.115647D+00  0.738022D+00
               231           232           233           234           235 
      1  -0.115647D+00  0.182468D-01  0.741328D-01 -0.482362D-01 -0.690793D+01
      2   0.738022D+00  0.741328D-01  0.803301D+00 -0.225230D+00 -0.326030D+01
      3  -0.870923D+00 -0.482362D-01 -0.225230D+00  0.125493D+00  0.109776D+01
               236           237           238           239           240 
      1  -0.326030D+01  0.109776D+01 -0.487355D+01 -0.445946D+01  0.946900D+00
      2  -0.273849D+01  0.576000D+00 -0.445946D+01 -0.487753D+01  0.903089D+00
      3   0.576000D+00 -0.457538D+00  0.946900D+00  0.903089D+00 -0.755764D+00
               241           242           243           244           245 
      1   0.147438D+01  0.888937D+00  0.206070D+00 -0.135483D+01  0.259009D+01
      2   0.888937D+00  0.816107D+00 -0.292572D+00  0.259009D+01 -0.220030D+01
      3   0.206070D+00 -0.292572D+00  0.510538D-01 -0.203480D+00 -0.428110D-01
               246           247           248           249           250 
      1  -0.203480D+00  0.326057D+01 -0.383030D+01  0.183830D+00 -0.276982D+00
      2  -0.428110D-01 -0.383030D+01  0.855453D+01 -0.452842D+00  0.920946D-01
      3  -0.272071D+00  0.183830D+00 -0.452842D+00  0.921426D+00 -0.233549D+00
               251           252           253           254           255 
      1   0.920946D-01 -0.233549D+00  0.108525D+01  0.197770D+00  0.732935D+00
      2  -0.623742D+00  0.191370D+00  0.197770D+00  0.477194D+00 -0.984685D-01
      3   0.191370D+00 -0.684232D-01  0.732935D+00 -0.984685D-01  0.508027D+00
               256           257           258           259           260 
      1  -0.165984D+01 -0.174385D+01  0.131345D+01  0.436703D+01  0.139296D+01
      2  -0.174385D+01 -0.214528D+01  0.198679D+01  0.139296D+01  0.182426D+01
      3   0.131345D+01  0.198679D+01 -0.302017D+01 -0.355629D+01 -0.290734D+01
               261           262           263           264           265 
      1  -0.355629D+01 -0.661723D+00 -0.556434D+00 -0.147415D+01 -0.346636D+01
      2  -0.290734D+01 -0.556434D+00 -0.153842D+00 -0.545748D+00 -0.297757D+01
      3   0.654614D+01 -0.147415D+01 -0.545748D+00 -0.578106D-01 -0.168400D+01
               266           267           268           269           270 
      1  -0.297757D+01 -0.168400D+01 -0.545807D+01 -0.224472D+01 -0.268758D+01
      2  -0.350034D+01 -0.212793D+01 -0.224472D+01 -0.248848D+01 -0.261350D+01
      3  -0.212793D+01 -0.253419D+01 -0.268758D+01 -0.261350D+01 -0.348181D+01
               271           272           273           274           275 
      1  -0.140842D+02  0.285373D+01  0.959597D+00  0.660581D+01 -0.228937D+01
      2   0.285373D+01 -0.125069D+01 -0.310189D+00 -0.228937D+01  0.176648D+01
      3   0.959597D+00 -0.310189D+00 -0.109706D+01 -0.629152D+00  0.986478D-01
               276           277           278           279 
      1  -0.629152D+00  0.608137D+00 -0.286494D+00 -0.167341D+01
      2   0.986478D-01 -0.286494D+00 -0.550302D-01 -0.395779D-01
      3   0.401494D+00 -0.167341D+01 -0.395779D-01  0.470567D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.190997D+01  0.457687D+01 -0.690759D+00  0.517692D+01  0.549632D+01
      2   0.181275D+02  0.674651D+01 -0.739026D+00 -0.143677D+02  0.672246D+00
      3   0.933107D-01  0.430998D+02 -0.387369D+01  0.337409D+02  0.248291D+02
                 6             7             8             9            10 
      1  -0.107992D+01  0.351860D+01  0.644035D+01 -0.781742D+00  0.264351D+01
      2   0.760796D+00 -0.199426D+02 -0.314828D+01  0.245364D+01 -0.206716D+02
      3  -0.475117D+01 -0.335202D+01 -0.881116D+01 -0.484828D-02  0.260422D+01
                11            12            13            14            15 
      1   0.683890D+01 -0.820485D+00  0.792046D+01  0.120486D+01 -0.346995D+00
      2   0.206637D+00 -0.244998D+01  0.207177D+02  0.359838D+01 -0.269161D+01
      3   0.467908D+02 -0.447154D+01  0.695570D+02  0.238804D+02 -0.919133D+01
                16            17            18            19            20 
      1   0.237410D+01  0.590751D+01 -0.914844D+00  0.266173D+01 -0.908077D+00
      2  -0.232805D+02 -0.190456D+01  0.286966D+01 -0.280200D+02 -0.903383D+01
      3  -0.584205D+01 -0.861237D+01  0.246892D+01  0.855215D+01 -0.352156D+02
                21            22            23            24            25 
      1  -0.382468D+00 -0.591576D+00  0.428940D+01 -0.257739D+01  0.627446D+01
      2   0.306867D+00 -0.155275D+02 -0.217617D+01 -0.160011D+01 -0.167687D+02
      3   0.166123D+01  0.255760D+01  0.348625D+01 -0.367122D+00  0.518186D+01
                26            27            28            29            30 
      1   0.115828D+01  0.285877D+01  0.435493D+01  0.966627D+00 -0.197235D+00
      2  -0.737133D+01  0.248371D+01  0.383910D+02  0.461571D+01  0.120729D+01
      3   0.542006D+01  0.265264D+01  0.154939D+02  0.117055D+02 -0.952812D+00
                31            32            33            34            35 
      1   0.658496D+01 -0.623907D+01  0.313902D+01 -0.146198D+01  0.165795D+02
      2   0.487593D+01  0.723629D+00  0.256939D+00 -0.163175D+02 -0.204882D+01
      3   0.336418D+02  0.188118D+01  0.333061D+01 -0.457538D+01 -0.179798D+01
                36            37            38            39            40 
      1  -0.288069D+01  0.230515D+01 -0.571340D+01 -0.340325D+01 -0.349987D+01
      2   0.869204D+00  0.789411D+00  0.626097D+00  0.204847D+01  0.704897D+01
      3  -0.275715D+00  0.313046D+02  0.140789D+01 -0.588943D+00 -0.351996D+01
                41            42            43            44            45 
      1   0.606256D+01 -0.155836D+01 -0.175936D+02  0.811158D+01  0.146893D+01
      2   0.260025D+01  0.108531D+01 -0.861008D+01  0.812578D+01  0.111538D+01
      3   0.633024D+01 -0.250415D+01 -0.673760D+00 -0.216141D+01  0.779263D+01
                46            47            48            49            50 
      1  -0.598049D+01  0.425338D+00  0.391254D+01 -0.265629D+01 -0.470365D+01
      2  -0.579635D+01 -0.894149D+00  0.132313D+01 -0.950952D+00 -0.109942D+01
      3  -0.542232D+02 -0.328850D+02  0.657821D+01 -0.116181D+02 -0.262928D+02
                51            52            53            54            55 
      1  -0.272520D+01  0.905587D+01 -0.549946D+01 -0.325045D+01 -0.159435D+01
      2   0.858601D+00 -0.181641D+02  0.200392D+01  0.208080D+00 -0.803192D+01
      3   0.378964D+01  0.873871D+01  0.599469D+01 -0.753837D+01 -0.306504D+02
                56            57            58            59            60 
      1  -0.637241D+01  0.412509D+01  0.108302D+01 -0.366950D+01 -0.184448D+01
      2  -0.390224D+01 -0.342317D+01 -0.484944D+01 -0.365360D+01  0.354699D+01
      3  -0.366099D+02  0.497939D+01 -0.368938D+01 -0.296561D+02  0.166708D+01
                61            62            63            64            65 
      1   0.566547D+01 -0.309707D+01 -0.621062D+00  0.345060D+00  0.732889D+00
      2  -0.227662D+02  0.645164D+01  0.732556D+00 -0.619682D+00 -0.294504D+00
      3   0.437705D+01  0.629437D+01 -0.117913D+02 -0.115161D+01  0.171641D+01
                66            67            68            69            70 
      1   0.553849D+00 -0.442358D+00  0.169960D+01 -0.332409D+01  0.128021D+00
      2  -0.191854D+00 -0.748913D+00  0.861482D+00 -0.112472D+01 -0.207059D+01
      3   0.113983D+00  0.529154D+01  0.420719D+01 -0.596372D+00 -0.289994D-01
                71            72            73            74            75 
      1   0.210258D+01 -0.254289D+00 -0.190320D+00 -0.124398D+01 -0.227404D+01
      2   0.138375D+01 -0.646693D-01  0.361459D+01  0.131699D+01  0.159669D+01
      3  -0.462710D+00 -0.882756D+00  0.939503D+01  0.261771D+00 -0.883838D+00
                76            77            78            79            80 
      1  -0.146834D+01 -0.209884D+01 -0.260115D+01  0.321236D+01  0.123486D+01
      2   0.187757D+01  0.147922D+01  0.217504D+01 -0.307777D+01 -0.240181D-01
      3   0.175443D+01 -0.142295D+01 -0.156411D+00 -0.191573D+01  0.174007D+00
                81            82            83            84            85 
      1  -0.230539D+00 -0.117934D+01  0.150032D+01  0.122111D+01  0.326744D+00
      2  -0.653262D+00 -0.740558D+00  0.876467D+00  0.610925D+00  0.706892D+00
      3  -0.128835D+01 -0.513940D+01  0.287677D+01  0.175763D-01  0.501538D+01
                86            87            88            89            90 
      1  -0.424383D+01 -0.437915D+01 -0.124466D+01  0.249663D+01  0.395714D+00
      2  -0.130322D+01 -0.831687D+00 -0.182623D+00 -0.990412D+00  0.217600D+00
      3  -0.404232D+01  0.731725D+00  0.586644D+00  0.525681D+00  0.103855D+01
                91            92            93            94            95 
      1  -0.136681D+01  0.924038D+00 -0.159471D+00 -0.257214D+01 -0.872609D-01
      2  -0.273391D+02 -0.260611D+01 -0.101654D+02  0.145845D+01  0.859811D+01
      3  -0.129542D+01 -0.360319D+01 -0.966656D+00  0.175568D+02 -0.607111D+01
                96            97            98            99           100 
      1  -0.344128D+01 -0.290994D+01  0.314345D+01  0.355573D+01  0.513229D+00
      2  -0.127184D+01 -0.456237D+02 -0.630588D+01 -0.603546D+01 -0.230299D+01
      3  -0.132213D+02 -0.278878D+01 -0.131364D+02  0.615110D+01  0.111408D+02
               101           102           103           104           105 
      1  -0.328744D+01  0.394591D+01 -0.878215D+00 -0.407502D+01  0.566260D+01
      2   0.478678D+01  0.171709D+02  0.113494D+01 -0.887723D+01  0.435014D+01
      3  -0.170057D+02 -0.676530D+01 -0.111540D+02  0.240086D+00  0.143843D+02
               106           107           108           109           110 
      1   0.124800D+00  0.104262D+02  0.160711D+01 -0.677380D+01 -0.213331D+01
      2   0.880313D+01  0.100258D+02  0.147107D+02  0.229876D+02  0.237725D+01
      3  -0.515803D+01  0.967102D+01 -0.156396D+02  0.124465D+01  0.165725D+02
               111           112           113           114           115 
      1   0.399700D+01 -0.135965D+02 -0.354644D+01 -0.169999D+02  0.426144D+01
      2   0.123535D+01 -0.176435D+01  0.375558D+00 -0.287479D+01  0.280615D+02
      3   0.425536D+00  0.130477D+02  0.889848D+01  0.306581D+01  0.107880D+01
               116           117           118           119           120 
      1  -0.433722D+01  0.178506D+01 -0.695278D+00 -0.130269D+01  0.521933D+00
      2  -0.727947D+00  0.671755D+00 -0.342609D+01 -0.792814D+00  0.605693D+01
      3   0.592220D+01 -0.945177D+00 -0.776907D+01 -0.597787D+01  0.217853D+01
               121           122           123           124           125 
      1   0.435317D-01 -0.235094D+01  0.568464D+00  0.342142D+00  0.282326D+01
      2   0.616103D+00 -0.527908D+01  0.577728D+01  0.672412D+01  0.493875D+01
      3  -0.188163D+01 -0.897475D+01  0.720531D+01  0.221272D+01  0.857229D+01
               126           127           128           129           130 
      1  -0.101877D+01 -0.113858D+01  0.149105D+01 -0.272881D+01  0.308136D+00
      2  -0.925444D+01 -0.760761D+01 -0.320461D+01 -0.977208D+01  0.256395D+00
      3  -0.648064D+01  0.375860D+01  0.519969D+01  0.647197D+01  0.321652D+01
               131           132           133           134           135 
      1  -0.726770D-02 -0.213394D+01 -0.176187D+01  0.120594D+01 -0.768861D+01
      2  -0.386763D+01 -0.482960D+01 -0.596177D+01 -0.844722D+01 -0.258829D+02
      3   0.436058D+01  0.449375D+01  0.285169D+01  0.650082D+01  0.129444D+02
               136           137           138           139           140 
      1   0.189440D+01  0.144034D+01 -0.217196D+01  0.365285D+00  0.800272D+01
      2   0.211604D+01 -0.608579D+00 -0.206045D+01 -0.609725D+00  0.551410D+01
      3   0.536707D+01  0.504303D+01 -0.177813D+01  0.326318D+01  0.178251D+02
               141           142           143           144           145 
      1  -0.708335D+01 -0.382560D+00 -0.509932D+01  0.679288D+01  0.371570D+00
      2  -0.524370D+01 -0.176032D+01 -0.542528D+01  0.561918D+01  0.721141D+01
      3  -0.706939D+01 -0.184721D+01 -0.115124D+02  0.827254D+01 -0.651212D+01
               146           147           148           149           150 
      1  -0.172784D+01  0.180437D+01 -0.121100D+01  0.702364D+00 -0.125715D+01
      2  -0.372199D+00  0.556662D+01 -0.135789D+01  0.191146D+01 -0.238585D+00
      3  -0.599923D+01 -0.210810D+00 -0.138173D+01  0.795269D+00 -0.146914D+01
               151           152           153           154           155 
      1   0.128451D+01 -0.520699D+00 -0.427906D+00  0.529994D+01  0.202256D+01
      2   0.261708D+01 -0.154277D+01 -0.240691D+01 -0.994286D+01  0.291398D+00
      3   0.126221D+01 -0.135919D+01  0.548396D+00 -0.705650D+01 -0.265037D+02
               156           157           158           159           160 
      1  -0.399495D+01  0.995092D+01  0.257127D+01  0.111011D+01 -0.201093D+01
      2   0.237602D+02  0.323642D+01 -0.111996D+01  0.417360D+01  0.789126D+01
      3  -0.152149D+01 -0.166768D+02 -0.114605D+02 -0.194526D+01 -0.425090D+00
               161           162           163           164           165 
      1   0.309728D+01 -0.257348D+00  0.651016D+01  0.207730D+01  0.133679D+01
      2   0.319840D+01  0.275995D+01 -0.928437D+01 -0.293179D+01  0.170940D+01
      3  -0.311653D+01 -0.180612D+01 -0.329709D+01 -0.292501D+01  0.520195D+00
               166           167           168           169           170 
      1   0.499996D+01 -0.395791D+00  0.490853D+01  0.202709D+01  0.769490D+01
      2  -0.243348D+01  0.594162D+01  0.463189D+00 -0.122298D+02  0.519872D+00
      3   0.179815D+01  0.669664D+00 -0.561515D+01  0.151102D+01 -0.293732D+01
               171           172           173           174           175 
      1  -0.133218D+01 -0.626823D+01 -0.162902D+01 -0.222721D+01 -0.593453D+01
      2   0.226923D+02  0.217624D+02  0.162695D+01 -0.628623D+01  0.344933D+01
      3   0.593495D+00  0.270912D+01  0.159527D+01  0.117373D-02  0.477665D+01
               176           177           178           179           180 
      1   0.259615D+00 -0.287616D+01 -0.200500D+01 -0.112661D+01 -0.631116D+00
      2   0.225205D+01 -0.972457D+00 -0.128724D+01  0.565542D+00  0.160189D+01
      3  -0.324361D-01 -0.996894D+00  0.371765D+00  0.102165D+01  0.155177D+00
               181           182           183           184           185 
      1  -0.267994D+00  0.474806D+01 -0.450137D+01 -0.327359D+01  0.311847D+00
      2   0.794502D+00  0.198816D+01  0.621414D+01 -0.689941D+01  0.258149D+01
      3   0.170264D+02  0.811723D+01 -0.258269D+01 -0.185958D+02  0.846807D+01
               186           187           188           189           190 
      1  -0.119961D+01 -0.123293D+02  0.659209D+01  0.227080D+01  0.286746D+01
      2   0.286494D+01 -0.355110D+01  0.115015D+02 -0.345826D+01 -0.120230D+02
      3   0.762452D+00  0.198080D+01 -0.398147D+01  0.817061D+00  0.111320D+02
               191           192           193           194           195 
      1   0.776362D+01  0.168027D+00  0.749680D+01  0.681637D+01  0.146438D+01
      2  -0.847913D+00 -0.110744D+01  0.307735D+01 -0.243903D+01 -0.642671D+00
      3   0.232776D+02 -0.369354D+01  0.509740D+02  0.103108D+02 -0.663793D+01
               196           197           198           199           200 
      1  -0.138735D+01  0.132602D+02 -0.184327D+01 -0.591267D+00 -0.697694D+01
      2   0.241819D+01 -0.441250D+01 -0.183724D+01  0.161829D+02 -0.924350D+00
      3  -0.717541D+01 -0.549231D+01 -0.657015D+00  0.102425D+02 -0.399822D+02
               201           202           203           204           205 
      1   0.319879D+00 -0.102300D+01 -0.375183D+01 -0.209137D+01  0.765190D+01
      2   0.227602D+01  0.349069D+01 -0.180052D+01 -0.311108D+01 -0.206891D+02
      3   0.392038D+01 -0.334830D+01 -0.142136D+02  0.341439D+01  0.105559D+01
               206           207           208           209           210 
      1   0.294688D+01 -0.133559D+01 -0.265769D+01 -0.711078D+01 -0.711315D+00
      2  -0.173551D+02  0.444204D+01  0.150029D+01 -0.175385D+01  0.142525D+02
      3   0.881336D+01  0.746750D+01 -0.781773D+01 -0.439549D+02  0.424494D+01
               211           212           213           214           215 
      1  -0.949352D-01  0.316838D+00 -0.473480D+01 -0.209560D+01 -0.138066D+01
      2  -0.128590D+01  0.343574D+00  0.518959D+01 -0.578308D+01 -0.157807D+01
      3  -0.369606D+01  0.115591D+02 -0.714294D+00  0.271498D+01  0.490146D+01
               216           217           218           219           220 
      1   0.125491D+01 -0.817086D+00  0.287330D+01  0.955505D+00  0.478957D+01
      2  -0.110184D+01 -0.660129D+01 -0.403522D+01 -0.776373D+00 -0.369026D+01
      3   0.287488D+01 -0.316758D+02  0.130759D+02  0.616830D+01  0.328509D+02
               221           222           223           224           225 
      1   0.381988D+01  0.405531D+01  0.126946D+02  0.676475D+01 -0.338126D+00
      2  -0.352186D+01 -0.375755D+02 -0.200403D+02 -0.294566D+02  0.137113D+02
      3   0.252798D+02  0.812420D+00  0.499037D+01  0.143824D+01  0.296443D+02
               226           227           228           229           230 
      1  -0.284354D+00  0.469041D+00  0.116430D+01 -0.164876D+00  0.381078D+00
      2  -0.581349D+00  0.140593D+00  0.283914D+00  0.562266D+00 -0.205331D+01
      3  -0.706773D+01  0.566516D+01  0.161666D+00  0.508193D+01 -0.202831D+02
               231           232           233           234           235 
      1  -0.437440D+01 -0.335595D+00  0.256821D+01  0.255432D+00  0.167049D+01
      2   0.654996D+00  0.244331D+00 -0.216242D+00 -0.257995D-01 -0.186347D+01
      3   0.176446D+01  0.376030D+00  0.119746D+01  0.367815D+00  0.504331D+01
               236           237           238           239           240 
      1   0.151947D+00 -0.189470D+01  0.607765D+00 -0.126655D+00 -0.260822D+01
      2  -0.136592D+01  0.200947D+01 -0.212252D+01 -0.230816D+01  0.349133D+01
      3  -0.484302D+01 -0.227913D+00 -0.558555D+01 -0.116734D+02  0.157449D+01
               241           242           243           244           245 
      1   0.224106D+01  0.860079D+00  0.559298D-02 -0.216701D+00  0.592970D+00
      2  -0.242748D+01  0.513628D+00 -0.329111D+00 -0.112843D-01  0.632690D+00
      3  -0.249103D+00  0.150453D+01 -0.154024D+01  0.402515D+01 -0.352755D+01
               246           247           248           249           250 
      1   0.117120D+01  0.377374D+00 -0.493187D+00 -0.380577D+01 -0.241213D+00
      2   0.118093D+01  0.256694D+00  0.551574D+00 -0.321912D+01 -0.172104D+01
      3  -0.272233D+00 -0.290875D+01  0.202054D+02 -0.125081D+01  0.971661D-02
               251           252           253           254           255 
      1   0.158160D+01  0.833651D-01 -0.100415D+01  0.251510D+00  0.102155D+01
      2   0.109501D+00  0.273350D+00 -0.612091D+01  0.910713D+00 -0.262945D+01
      3  -0.191385D+01  0.722694D-01 -0.947806D+00  0.120017D+01 -0.112322D+01
               256           257           258           259           260 
      1  -0.176551D+00 -0.115768D+01 -0.180601D+01 -0.215326D+01  0.211610D+01
      2  -0.553251D+01 -0.110467D+02  0.174865D+02  0.150254D+02  0.175390D+02
      3  -0.971981D+01 -0.175622D+02  0.126895D+02  0.702383D+01  0.142518D+02
               261           262           263           264           265 
      1   0.352045D+01 -0.240765D+00 -0.355093D+00 -0.171487D+00 -0.289597D+01
      2  -0.368431D+02  0.934631D+01  0.309294D+01  0.137931D+01  0.835763D+01
      3  -0.189448D+02 -0.505119D+01 -0.301173D+01 -0.247074D+01 -0.158952D+02
               266           267           268           269           270 
      1  -0.296247D+01 -0.414990D+01 -0.416823D+01 -0.116567D+01 -0.503941D+01
      2   0.122100D+02  0.158826D+02  0.134419D+02  0.162703D+02  0.208822D+02
      3  -0.259756D+02 -0.122026D+02 -0.103603D+02 -0.170592D+02 -0.159238D+02
               271           272           273           274           275 
      1   0.173953D+01 -0.108571D+01  0.110462D+00 -0.137867D+01  0.793260D+00
      2  -0.124218D-01  0.513646D+00  0.838898D+01  0.101710D+01  0.331141D+00
      3   0.231153D+02 -0.127052D+02 -0.223817D+01 -0.155024D+02  0.118458D+02
               276           277           278           279 
      1  -0.886432D+00 -0.136844D+01  0.258749D+00  0.169856D+00
      2  -0.279039D+01  0.807769D+01  0.396238D+00 -0.224766D+01
      3   0.829678D+00 -0.193196D+01  0.150654D+00 -0.143054D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.887311D+02 -0.419785D+02  0.116725D+02  0.879211D+02 -0.436646D+01
      2   0.471846D+02  0.230781D+02 -0.747029D+01 -0.442594D+02  0.723361D+01
      3   0.415466D+02  0.189004D+02 -0.420223D+01 -0.436616D+02 -0.286715D+01
      4  -0.401410D+02 -0.371376D+00  0.270873D+01 -0.419322D+01  0.593537D+01
      5   0.161138D+02  0.229701D+01 -0.174962D+01  0.723285D+00  0.189118D+01
      6   0.165900D+01 -0.357430D+01  0.123031D+01  0.308022D+01  0.208661D+01
                 6             7             8             9            10 
      1  -0.962834D+01  0.295082D+01  0.426771D+01 -0.105397D+02  0.859740D+02
      2   0.374530D+01 -0.338584D+01 -0.350699D+01 -0.132608D+01 -0.370716D+02
      3   0.588305D+01  0.435019D+00 -0.760717D+00  0.118658D+02 -0.489024D+02
      4   0.893280D-01  0.472179D+01  0.654850D-01 -0.297711D+00  0.175740D+02
      5  -0.605986D+00 -0.178988D+01  0.137335D+01  0.315662D+01 -0.145584D+02
      6  -0.814733D+00 -0.284535D+01  0.228570D+01  0.216809D+01 -0.149880D+00
                11            12            13            14            15 
      1   0.147784D+01 -0.101777D+02 -0.985738D+02 -0.251300D+02  0.108635D+02
      2  -0.522185D+00  0.326200D+01  0.443280D+02  0.213256D+02 -0.712855D+01
      3  -0.955651D+00  0.691565D+01  0.542459D+02  0.380440D+01 -0.373498D+01
      4  -0.118133D+01 -0.236065D+01 -0.179921D+02 -0.150773D+02  0.245622D+01
      5  -0.115766D+01 -0.520776D+01  0.907604D+00 -0.279123D+00 -0.254901D-01
      6   0.393261D+00 -0.546411D+00 -0.192375D+00 -0.493215D+01 -0.839422D-01
                16            17            18            19            20 
      1  -0.104065D+01  0.132912D+01 -0.884468D+01  0.583277D+02  0.493967D+02
      2  -0.157081D+01 -0.126761D+01 -0.148832D+01 -0.304256D+02 -0.331055D+02
      3   0.261146D+01 -0.615086D-01  0.103330D+02 -0.279021D+02 -0.162911D+02
      4  -0.143161D+00  0.227226D+01 -0.181734D+01  0.398977D+02 -0.315814D+01
      5   0.930466D+00 -0.169094D+01  0.349585D+01 -0.153783D+02 -0.458819D+01
      6  -0.168624D+01  0.374302D+01  0.426378D+00 -0.163609D+01  0.960298D+01
                21            22            23            24            25 
      1  -0.165233D+02 -0.102993D+02  0.245658D+02 -0.904936D+01 -0.853730D+01
      2   0.928181D+01  0.180164D+02 -0.283397D+02  0.541006D+01 -0.560027D+00
      3   0.724149D+01 -0.771713D+01  0.377389D+01  0.363930D+01  0.909733D+01
      4  -0.376232D+01  0.188125D+02  0.133850D+01 -0.172446D+01 -0.128454D+02
      5  -0.251444D+01 -0.756912D+01 -0.199518D+01 -0.621270D+01  0.913685D+01
      6  -0.133082D+01 -0.368329D+01  0.863737D+01  0.452383D+01  0.546837D+00
                26            27            28            29            30 
      1  -0.181945D+02 -0.601322D+01  0.192173D+02 -0.197422D+01  0.119303D+02
      2   0.105157D+02 -0.472359D+01 -0.282372D+02  0.420703D+01 -0.596586D+01
      3   0.767879D+01  0.107368D+02  0.901986D+01 -0.223281D+01 -0.596443D+01
      4  -0.178141D+01 -0.337349D+01 -0.130999D+02  0.913384D+01 -0.138576D+01
      5  -0.850205D+01  0.448864D+01  0.159234D+02 -0.153983D+01  0.840912D+01
      6   0.896114D+01  0.384336D+01  0.446354D+01 -0.487729D+01  0.145153D+01
                31            32            33            34            35 
      1  -0.346627D+02 -0.659662D+02  0.961062D+01  0.179031D+02  0.111131D+02
      2   0.271063D+02  0.554792D+02 -0.106151D+02 -0.205896D+01 -0.826889D+01
      3   0.755638D+01  0.104870D+02  0.100450D+01 -0.158442D+02 -0.284426D+01
      4  -0.389803D+02  0.112713D+01 -0.117076D+01  0.965936D+01 -0.235496D+01
      5   0.108833D+02  0.202349D+01  0.233649D+00  0.256722D+02  0.426815D+01
      6   0.889892D+00 -0.159436D+02 -0.480084D+00 -0.813506D+00  0.556683D+01
                36            37            38            39            40 
      1  -0.752870D+01 -0.980766D+01 -0.658008D+02  0.978627D+01  0.269652D+02
      2  -0.723701D+01  0.465322D+01  0.510102D+02 -0.422856D+01 -0.288587D+02
      3   0.147657D+02  0.515444D+01  0.147906D+02 -0.555771D+01  0.189349D+01
      4  -0.157589D+01 -0.764169D+01 -0.128219D+02  0.514901D+01  0.115354D+02
      5  -0.201626D+01 -0.290004D+01  0.939706D+01  0.362270D+01  0.294342D+01
      6   0.843376D+00  0.480768D+01 -0.953682D+01  0.850065D+01  0.546266D+01
                41            42            43            44            45 
      1   0.398759D+02 -0.452075D+01  0.550941D+01  0.829565D+01 -0.163106D+02
      2  -0.356223D+02  0.598863D+01  0.768007D+01 -0.691175D+00  0.472280D+00
      3  -0.425357D+01 -0.146788D+01 -0.131895D+02 -0.760448D+01  0.158384D+02
      4  -0.139922D+02  0.354261D+01  0.100606D+02  0.520772D+01  0.870050D+01
      5   0.634623D+00  0.511496D+01  0.160673D+02  0.533218D+01 -0.638977D+01
      6   0.123004D+02 -0.800482D+00  0.189782D+02  0.103948D+02 -0.812497D+01
                46            47            48            49            50 
      1   0.147083D+02  0.453646D+02 -0.111025D+02 -0.202616D+02 -0.172656D+01
      2  -0.113681D+02 -0.329991D+02  0.469882D+01  0.162789D+02 -0.984339D+01
      3  -0.334027D+01 -0.123655D+02  0.640371D+01  0.398273D+01  0.115700D+02
      4  -0.367461D+01 -0.449335D+01  0.430704D+00  0.273026D+01  0.137358D+02
      5   0.122040D+02 -0.155139D+01 -0.793143D+00  0.275349D+01 -0.136132D+01
      6  -0.430267D+00  0.126165D+02 -0.844914D+01 -0.341902D+01  0.427107D+01
                51            52            53            54            55 
      1   0.406811D-01 -0.268016D+01 -0.614681D+01 -0.233214D+02  0.197954D+02
      2   0.342369D+01  0.642965D-01  0.143431D+02  0.121131D+02 -0.171172D+02
      3  -0.346437D+01  0.261587D+01 -0.819632D+01  0.112083D+02 -0.267820D+01
      4  -0.212516D+01 -0.338119D+00  0.182860D+01 -0.465578D+01  0.293370D+02
      5  -0.345922D+00  0.260140D+01 -0.540606D+00  0.453574D+01 -0.123970D+02
      6   0.690796D+01 -0.462661D+01  0.227012D+02 -0.477033D+01 -0.223175D+01
                56            57            58            59            60 
      1   0.488073D+02 -0.987126D+01  0.264246D+01  0.230958D+02 -0.428906D+01
      2  -0.301236D+02  0.483100D+01  0.312712D+01 -0.231313D+02  0.371108D+01
      3  -0.186837D+02  0.504025D+01 -0.576958D+01  0.354396D-01  0.577978D+00
      4  -0.346022D+02  0.328549D+00  0.301956D+02  0.175233D+02 -0.191794D+01
      5  -0.158830D+00 -0.731453D+01 -0.502101D+01 -0.685190D+00  0.467967D+01
      6   0.414964D+01 -0.613732D+01 -0.194944D+01  0.482168D+01  0.591590D+01
                61            62            63            64            65 
      1  -0.415359D+01 -0.902550D+01 -0.199244D+02  0.174910D+01 -0.229749D+00
      2   0.283364D+01  0.984918D+01  0.842699D+01  0.143256D+01 -0.117554D+01
      3   0.131995D+01 -0.823676D+00  0.114974D+02 -0.318166D+01  0.140528D+01
      4  -0.454045D+01  0.786274D+01  0.117906D+02 -0.729554D+01  0.915613D+01
      5   0.252499D+01  0.141970D+02  0.108699D+01 -0.289995D+01  0.153269D+01
      6   0.322225D+00  0.217048D+02 -0.218753D+00  0.190129D+01 -0.156624D+01
                66            67            68            69            70 
      1  -0.872345D+00  0.417809D+01 -0.220122D+02  0.212583D-01 -0.304661D+01
      2   0.438928D+00 -0.783640D+01  0.279097D+02 -0.843748D-01  0.235650D+01
      3   0.433417D+00  0.365831D+01 -0.589748D+01  0.631165D-01  0.690118D+00
      4   0.617289D+00  0.123739D+02 -0.179018D+02 -0.290319D+00  0.399916D+00
      5   0.816229D+00  0.149400D+01 -0.352939D+00 -0.197105D+01  0.234761D+00
      6  -0.546913D+00 -0.234881D+01  0.411786D+01  0.452812D+01 -0.193053D+01
                71            72            73            74            75 
      1   0.263462D+01 -0.263731D+01  0.467393D+01 -0.355790D+01  0.126371D+01
      2  -0.232720D+01  0.306495D+01  0.509782D+01  0.108893D+02 -0.123630D+01
      3  -0.307420D+00 -0.427637D+00 -0.977175D+01 -0.733136D+01 -0.274080D-01
      4   0.875036D+00 -0.676664D+00  0.285237D+02  0.238424D+02 -0.549440D+01
      5   0.350226D+00 -0.152227D+00 -0.906713D+01 -0.565155D+01  0.525903D+01
      6   0.189769D+01 -0.550684D+00 -0.774813D+01 -0.704481D+01  0.456433D+01
                76            77            78            79            80 
      1  -0.799091D+01 -0.155662D+02  0.427685D+01 -0.592195D+00  0.233033D+01
      2   0.169522D+02  0.260383D+02 -0.405303D+01 -0.254051D+01 -0.293171D+01
      3  -0.896127D+01 -0.104721D+02 -0.223826D+00  0.313270D+01  0.601384D+00
      4   0.274865D+02  0.314228D+02 -0.611935D+01 -0.645472D+01 -0.544988D+01
      5  -0.612360D+01 -0.642856D+01  0.466464D+01  0.161337D+01  0.354982D+01
      6  -0.901916D+01 -0.110394D+02  0.725905D+01  0.658257D+00  0.456113D+01
                81            82            83            84            85 
      1  -0.806141D+00 -0.583805D+01  0.947988D+01 -0.322266D+00  0.597927D+01
      2   0.156361D+01  0.831398D+01 -0.135529D+02  0.454296D+00 -0.746525D+01
      3  -0.757470D+00 -0.247593D+01  0.407298D+01 -0.132029D+00  0.148598D+01
      4   0.376207D+01 -0.513548D+01  0.135980D+02 -0.127111D+01  0.736194D+01
      5  -0.184832D+01  0.162675D+01 -0.263664D+01  0.204341D+01 -0.145729D+01
      6  -0.231987D+01 -0.177275D+01  0.203791D+01 -0.191709D+01  0.200842D+01
                86            87            88            89            90 
      1  -0.557396D+02  0.637026D+01 -0.201182D+00  0.460778D+01 -0.255969D+01
      2   0.740636D+02 -0.617526D+01  0.662978D+00 -0.546867D+01  0.286011D+01
      3  -0.183240D+02 -0.194997D+00 -0.461796D+00  0.860890D+00 -0.300421D+00
      4  -0.154903D+02  0.174406D+01 -0.100701D+01 -0.266640D+00 -0.153465D+01
      5   0.487791D+01 -0.165988D+01  0.106916D+01 -0.179135D+01  0.169331D+00
      6  -0.144084D+02  0.907479D+01  0.544752D+00  0.508932D+01 -0.173641D+01
                91            92            93            94            95 
      1  -0.447841D+02 -0.191553D+02 -0.122447D+02 -0.897482D+01  0.326222D+00
      2   0.375924D+02  0.160078D+02  0.619078D+01  0.102172D+02  0.248718D+00
      3   0.719173D+01  0.314747D+01  0.605394D+01 -0.124239D+01 -0.574941D+00
      4  -0.117411D+02 -0.108189D+02  0.233116D+01 -0.213877D+02  0.107282D+02
      5  -0.173823D+02  0.193522D+01 -0.242628D+02  0.856740D+01  0.270894D+02
      6   0.410847D+00  0.489300D+01 -0.473014D-01  0.733359D+01 -0.341238D+01
                96            97            98            99           100 
      1   0.100350D+02 -0.373685D+02 -0.151535D+01 -0.205326D+02 -0.599570D+02
      2  -0.110385D+02  0.271346D+02 -0.410914D+01  0.138513D+02  0.322958D+02
      3   0.100353D+01  0.102339D+02  0.562449D+01  0.668132D+01  0.276612D+02
      4   0.272029D+02  0.230158D+01  0.219573D+02 -0.100089D+02  0.298059D+02
      5  -0.308016D+01 -0.473279D+02 -0.124943D+02  0.125692D+01  0.303843D+02
      6  -0.982985D+01 -0.648510D+01 -0.278560D+01  0.704418D+01 -0.660349D+01
               101           102           103           104           105 
      1   0.277408D+02  0.283363D+02  0.592082D+01  0.523574D+01 -0.559813D+01
      2  -0.195298D+02 -0.635099D+01 -0.793747D+01 -0.498943D+01  0.195283D+02
      3  -0.821108D+01 -0.219853D+02  0.201665D+01 -0.246309D+00 -0.139302D+02
      4   0.100443D+02 -0.613593D+00  0.171274D+02 -0.144797D+02 -0.261925D+02
      5  -0.159266D+00  0.208191D+02  0.206595D+01 -0.273085D+02  0.441398D+01
      6  -0.416979D+01 -0.127888D+02 -0.751359D+01  0.135640D+02 -0.671439D+00
               106           107           108           109           110 
      1   0.196617D+02  0.173832D+01  0.383255D+02 -0.105293D+03 -0.150320D+02
      2  -0.837287D+01  0.148604D+02 -0.152893D+02  0.425375D+02  0.167358D+01
      3  -0.112888D+02 -0.165987D+02 -0.230362D+02  0.627550D+02  0.133584D+02
      4   0.281613D+01 -0.175019D+02  0.100433D+02 -0.276804D+02 -0.240498D+02
      5   0.139106D+02  0.158607D+02  0.140721D+02 -0.216042D+02 -0.831351D+01
      6  -0.738407D+01 -0.726276D+01 -0.158312D+02 -0.241704D+01 -0.225429D+01
               111           112           113           114           115 
      1  -0.140965D+02 -0.129766D+02 -0.855898D+01 -0.604347D+01  0.528922D+02
      2   0.415365D+01  0.206096D+01  0.683904D+01  0.179640D+01 -0.413512D+02
      3   0.994283D+01  0.109156D+02  0.171994D+01  0.424706D+01 -0.115410D+02
      4  -0.669825D+01  0.111968D+02 -0.939825D+01 -0.277970D+01 -0.342642D+01
      5  -0.120417D+02 -0.652735D+01 -0.369959D+01 -0.143849D+01  0.450454D+02
      6  -0.220568D+01 -0.505737D+01  0.665380D-01  0.339184D+01  0.889578D+01
               116           117           118           119           120 
      1   0.194048D+01  0.326343D+02  0.178074D+02  0.957002D+01 -0.659370D+01
      2  -0.313166D+01 -0.117643D+02 -0.133244D+02 -0.705025D+01  0.589365D+01
      3   0.119118D+01 -0.208700D+02 -0.448303D+01 -0.251976D+01  0.700057D+00
      4  -0.242553D+01  0.358194D+01  0.161563D+02  0.124537D+02 -0.588510D+01
      5   0.511577D+01  0.380530D+01 -0.172478D+02 -0.693289D+01  0.177119D+02
      6  -0.249891D+01 -0.650924D+00 -0.584658D+01 -0.326361D+01  0.330108D+01
               121           122           123           124           125 
      1   0.196510D+02  0.238842D+01 -0.164796D+01 -0.800559D+01 -0.737172D+00
      2  -0.130508D+02 -0.159566D+01  0.381305D+01  0.887022D+01  0.479730D+01
      3  -0.660023D+01 -0.792765D+00 -0.216509D+01 -0.864629D+00 -0.406013D+01
      4   0.152906D+02  0.195870D+02 -0.160700D+02 -0.775616D+01 -0.160267D+02
      5  -0.135273D+02 -0.166683D+02  0.147023D+02  0.254144D+02  0.134804D+02
      6  -0.522773D+01 -0.889598D+01  0.912732D+01  0.538360D+01  0.783342D+01
               126           127           128           129           130 
      1   0.214508D+01 -0.597512D+01 -0.103172D+02 -0.213217D+02 -0.613134D+00
      2  -0.108885D+02  0.154533D+00  0.639343D+01  0.438665D+01  0.170724D+00
      3   0.874346D+01  0.582058D+01  0.392375D+01  0.169351D+02  0.442410D+00
      4   0.132354D+02  0.375183D+00 -0.539028D+01 -0.133604D+01 -0.793453D-01
      5  -0.282246D+02 -0.468673D+01 -0.400233D+01 -0.959591D+01  0.900214D+00
      6  -0.833323D+01  0.385641D+01  0.612623D+01  0.111431D+02  0.137426D+01
               131           132           133           134           135 
      1  -0.105487D+02 -0.864035D+01 -0.114748D+02 -0.126726D+02 -0.395656D+02
      2   0.606942D+01  0.359373D+01  0.397314D+01  0.335557D+01 -0.172201D+01
      3   0.447930D+01  0.504662D+01  0.750170D+01  0.931703D+01  0.412876D+02
      4  -0.441345D+01 -0.433037D+01  0.710728D+01 -0.107676D+02 -0.120613D+02
      5  -0.409510D+01 -0.662593D+01  0.521491D+01 -0.158773D+02 -0.411508D+02
      6   0.713698D+01  0.117949D+02  0.329223D+00  0.154942D+02  0.296940D+02
               136           137           138           139           140 
      1   0.407789D+00 -0.948554D+01  0.117733D+01 -0.675865D+01 -0.169806D+02
      2   0.246268D+01  0.893808D+01 -0.307831D+01  0.216168D+01  0.307733D+02
      3  -0.287047D+01  0.547459D+00  0.190098D+01  0.459697D+01 -0.137927D+02
      4  -0.321406D+01 -0.316583D+01 -0.744845D+00  0.786735D+01 -0.277900D+02
      5   0.192269D+01  0.118595D+01 -0.446619D+01  0.159616D+01  0.117139D+02
      6  -0.143592D+01  0.588621D+00  0.330552D+01 -0.973306D-03 -0.342868D+01
               141           142           143           144           145 
      1   0.576349D+01  0.470019D+01  0.677659D+01 -0.102026D+02  0.958300D+02
      2  -0.126633D+02 -0.145756D+01 -0.161962D+02  0.108035D+02 -0.484469D+02
      3   0.689985D+01 -0.324263D+01  0.941961D+01 -0.600976D+00 -0.473832D+02
      4   0.963004D+01 -0.817695D+01  0.204133D+02 -0.857111D+01 -0.527749D+02
      5  -0.110449D+02 -0.168917D+01 -0.104633D+02  0.128975D+02 -0.393795D+02
      6   0.732582D+01  0.100799D+01  0.602723D+01 -0.678813D+01  0.108560D+02
               146           147           148           149           150 
      1  -0.190762D+02 -0.145103D+02 -0.929451D+01  0.872205D+01  0.121901D+01
      2   0.578578D+01  0.981572D+01  0.853388D+00 -0.172776D+01 -0.122880D+01
      3   0.132904D+02  0.469460D+01  0.844112D+01 -0.699429D+01  0.978881D-02
      4   0.246627D+02  0.107534D+02  0.171552D+02 -0.866744D+01 -0.782869D+00
      5   0.106727D+02  0.190429D+02  0.284037D+01 -0.225950D+01 -0.133413D+01
      6  -0.581708D+01 -0.584777D+01 -0.399061D+01  0.100653D+01  0.221109D+01
               151           152           153           154           155 
      1  -0.965224D+01  0.148190D+01  0.588583D+01  0.209514D+03  0.269432D+02
      2   0.785915D+01 -0.291236D+01 -0.541335D+01 -0.983900D+02 -0.953982D+01
      3   0.179309D+01  0.143046D+01 -0.472484D+00 -0.111124D+03 -0.174034D+02
      4   0.463647D+01 -0.163238D+00 -0.622569D+01  0.378600D+02  0.439965D+02
      5   0.169831D+02 -0.547413D+01 -0.101020D+02  0.424540D+02  0.914473D+01
      6  -0.459922D+01  0.315530D+01  0.383053D+01  0.706013D+00  0.461118D+01
               156           157           158           159           160 
      1   0.139977D+02  0.233737D+02  0.348816D+02  0.104568D+01  0.124437D+02
      2  -0.123416D+02 -0.629742D+01 -0.117059D+02 -0.869084D+00 -0.113297D+02
      3  -0.165610D+01 -0.170763D+02 -0.231757D+02 -0.176591D+00 -0.111394D+01
      4   0.706608D+01  0.509692D+02  0.258978D+02  0.549222D+01  0.514229D+01
      5   0.427476D+02  0.542499D+01  0.928236D+01  0.622311D+01  0.397077D+02
      6   0.136612D+01  0.994679D+01  0.365505D+01  0.575896D+01  0.214432D+01
               161           162           163           164           165 
      1   0.114655D+01  0.220609D+02  0.717259D+02  0.687846D+01  0.213158D+02
      2  -0.111306D+01 -0.154750D+02 -0.487928D+02 -0.277697D+01 -0.135332D+02
      3  -0.334898D-01 -0.658595D+01 -0.229331D+02 -0.410148D+01 -0.778254D+01
      4   0.367035D+01  0.595205D+01  0.865659D+01  0.634497D+01 -0.118300D+01
      5   0.659216D+01  0.123635D+02  0.434639D+02 -0.613178D+00  0.219087D+02
      6   0.494783D+01  0.184026D+01  0.398931D+01  0.678247D+00  0.619327D+00
               166           167           168           169           170 
      1   0.129391D+02 -0.109253D+02 -0.528939D-01 -0.114609D+02 -0.304775D+01
      2  -0.781502D+01  0.331994D+01  0.329131D+00  0.369875D+01  0.201389D+01
      3  -0.512404D+01  0.760533D+01 -0.276237D+00  0.776211D+01  0.103386D+01
      4   0.259616D+01 -0.214417D+01  0.939145D+01 -0.303859D+01  0.472628D+01
      5   0.506592D+01  0.857802D+01 -0.394069D+00  0.993707D+01 -0.577473D+00
      6   0.261726D+01  0.419289D+00  0.119569D+02 -0.213565D+01  0.101394D+02
               171           172           173           174           175 
      1  -0.369187D+02 -0.584774D+02 -0.220175D+01  0.224396D+01 -0.866286D+01
      2  -0.951863D+01  0.375533D+02  0.127801D+01  0.878672D+01  0.652240D+01
      3   0.464374D+02  0.209242D+02  0.923748D+00 -0.110307D+02  0.214047D+01
      4  -0.182110D+01 -0.440443D+01 -0.387488D+01  0.605204D+00  0.269097D+00
      5   0.382797D+02 -0.318446D+02  0.990416D+00 -0.198431D+02 -0.340823D+01
      6  -0.109388D+01 -0.308737D+01 -0.307883D+01  0.138795D+00 -0.847293D+00
               176           177           178           179           180 
      1  -0.393681D+01  0.816699D+00 -0.182654D+02 -0.995206D+00 -0.107678D+02
      2   0.209732D+01  0.122549D+01  0.172905D+02  0.104846D+01  0.658520D+01
      3   0.183949D+01 -0.204219D+01  0.974949D+00 -0.532510D-01  0.418258D+01
      4  -0.434185D+00  0.279279D+01 -0.185504D+01 -0.862600D+00 -0.149823D+00
      5   0.261095D+01 -0.283785D+01 -0.175625D+02  0.125696D+00 -0.616274D+01
      6  -0.114269D+01  0.286631D+01 -0.991912D+00  0.549079D+00 -0.110856D+01
               181           182           183           184           185 
      1  -0.685090D+01 -0.511108D+02  0.756996D+01  0.953836D+02  0.254580D+02
      2   0.679166D+01  0.359260D+02 -0.377753D+01 -0.646563D+02 -0.210512D+02
      3   0.592373D-01  0.151849D+02 -0.379243D+01 -0.307273D+02 -0.440681D+01
      4  -0.200074D+02  0.419820D+02  0.302590D+01  0.226993D+02 -0.305984D+02
      5   0.118557D+02  0.367343D+01  0.117806D+02 -0.541450D+01  0.657631D+01
      6   0.517399D+01  0.103843D+01  0.736082D+01  0.418805D+01  0.444687D+01
               186           187           188           189           190 
      1  -0.977958D+01 -0.401867D+01  0.703619D+01  0.199395D+01  0.122802D+03
      2   0.770193D+01  0.742441D+01 -0.202571D+01 -0.856738D+01 -0.661949D+02
      3   0.207764D+01 -0.340575D+01 -0.501047D+01  0.657343D+01 -0.566071D+02
      4   0.365912D+01  0.751028D+01  0.324649D+01  0.180367D+02  0.115402D+02
      5   0.775981D+01  0.287068D+02  0.180396D+02 -0.739110D+01 -0.123039D+01
      6   0.267053D+01  0.168381D+02  0.889404D+01 -0.330200D+01  0.229639D+01
               191           192           193           194           195 
      1   0.278392D+02 -0.114936D+02 -0.302244D+02 -0.207347D+02  0.796216D+01
      2  -0.172514D+02  0.346045D+01  0.281134D+02  0.237318D+02 -0.822043D+01
      3  -0.105878D+02  0.803319D+01  0.211108D+01 -0.299715D+01  0.258267D+00
      4   0.288899D+02 -0.452624D+01 -0.193964D+02  0.564688D+02 -0.312430D+01
      5  -0.589438D+01 -0.475735D+00  0.817283D+01 -0.731337D+01 -0.639355D+00
      6   0.285199D+01 -0.247399D+01  0.122614D+01 -0.292956D+01 -0.237583D+01
               196           197           198           199           200 
      1   0.135713D+01  0.256077D+01  0.265758D+02 -0.112280D+03 -0.131150D+02
      2  -0.143217D+01 -0.276721D+01 -0.236511D+02  0.496698D+02  0.663093D+01
      3   0.750383D-01  0.206448D+00 -0.292467D+01  0.626103D+02  0.648402D+01
      4   0.591238D+01 -0.855312D+01  0.299757D+00 -0.184411D+02 -0.312932D+02
      5   0.526668D+02  0.605861D+01 -0.591402D+01  0.143668D+02  0.234399D+01
      6  -0.202007D+01  0.268347D+01  0.301690D+01 -0.244071D+01  0.176077D+01
               201           202           203           204           205 
      1   0.982552D+01 -0.821847D+02 -0.707406D+01  0.571096D+01  0.204669D+02
      2  -0.458842D+01  0.518420D+02 -0.913947D+01 -0.197993D+01 -0.119144D+02
      3  -0.523710D+01  0.303427D+02  0.162135D+02 -0.373103D+01 -0.855249D+01
      4   0.195193D+01 -0.562129D+01 -0.180576D+02 -0.899627D+00 -0.332559D+00
      5   0.385228D+01  0.655419D+01  0.683658D+00 -0.776690D+01  0.305262D+01
      6   0.119092D+00 -0.391864D+01  0.383485D+01  0.469733D+01 -0.418919D+01
               206           207           208           209           210 
      1  -0.374045D+01 -0.186237D+02  0.857737D+01 -0.294994D+02  0.639191D+01
      2   0.611293D+01  0.413202D+01 -0.624437D+01  0.166725D+02  0.268490D+00
      3  -0.237249D+01  0.144917D+02 -0.233299D+01  0.128269D+02 -0.666040D+01
      4   0.191260D+01 -0.251037D+02 -0.268569D+02  0.758183D+01  0.475990D+01
      5  -0.268640D+02  0.931400D+01  0.526574D+00  0.464107D+01  0.273763D+02
      6   0.163703D+02 -0.546199D+00  0.957636D+00 -0.265366D+01  0.321019D+01
               211           212           213           214           215 
      1   0.658928D+01  0.156138D+02 -0.403570D-01  0.552739D+00  0.663927D+00
      2  -0.850202D+01 -0.576048D+01  0.250546D+01  0.725129D+00 -0.160401D+00
      3   0.191274D+01 -0.985334D+01 -0.246511D+01 -0.127787D+01 -0.503526D+00
      4   0.427903D+02 -0.168377D+02 -0.142080D+01 -0.169112D+01 -0.557174D-01
      5  -0.143999D+01  0.103848D+01  0.872497D+01  0.920851D+01 -0.698663D+01
      6  -0.117288D+01  0.221610D+01  0.772962D+01 -0.388306D+01  0.441630D+01
               216           217           218           219           220 
      1  -0.103533D+01 -0.479049D+02  0.512968D+02 -0.180029D+01  0.424866D+02
      2  -0.758694D-01  0.271160D+02 -0.275716D+02 -0.576534D+00 -0.201511D+02
      3   0.111120D+01  0.207889D+02 -0.237252D+02  0.237683D+01 -0.223355D+02
      4  -0.789792D+01  0.507064D+02 -0.118861D+01 -0.134326D+02 -0.418096D+02
      5  -0.356689D+01 -0.144459D+01 -0.142550D+02 -0.754539D+01 -0.140628D+02
      6  -0.860015D+00 -0.597543D+01 -0.903528D+00 -0.120005D+01 -0.911817D+00
               221           222           223           224           225 
      1  -0.155111D+02 -0.190640D+02 -0.592438D+01 -0.162713D+02 -0.316811D+00
      2   0.736528D+01  0.840829D+00 -0.252840D+01  0.200247D+01  0.289015D+01
      3   0.814577D+01  0.182232D+02  0.845278D+01  0.142688D+02 -0.257333D+01
      4  -0.250658D+02 -0.881549D+01 -0.131742D+02 -0.102100D+02 -0.489219D+02
      5  -0.100331D+02 -0.719244D+02 -0.298945D+02 -0.508745D+02  0.226045D+02
      6  -0.126690D+01 -0.153292D+02 -0.120496D+02 -0.120695D+02  0.792509D+01
               226           227           228           229           230 
      1  -0.519908D+01  0.145462D+02 -0.577935D+00  0.460846D+01 -0.506803D+02
      2   0.636766D+01 -0.142606D+02  0.609213D+00 -0.395055D+01  0.630995D+02
      3  -0.116859D+01 -0.285582D+00 -0.312779D-01 -0.657912D+00 -0.124191D+02
      4   0.168907D+01  0.477130D+01 -0.837339D+00  0.298052D+01  0.199133D+02
      5   0.187490D+00 -0.115723D+01  0.111685D+01 -0.171903D+00  0.111471D+01
      6  -0.253474D+00 -0.213493D+00 -0.140470D+01  0.337648D+00 -0.308738D+01
               231           232           233           234           235 
      1   0.400881D+01  0.235314D+00  0.317116D+01 -0.224998D+01  0.409238D+02
      2  -0.404362D+01 -0.148769D+00 -0.414521D+01  0.263474D+01 -0.151738D+02
      3   0.348143D-01 -0.865450D-01  0.974042D+00 -0.384760D+00 -0.257500D+02
      4  -0.136136D+01 -0.570177D+00 -0.252164D+01 -0.118993D+01  0.338892D+02
      5   0.176258D+01  0.146050D+01 -0.751819D+00 -0.576820D-01 -0.811583D+01
      6   0.688183D+01 -0.191120D+00  0.324495D+01 -0.868395D+00 -0.321598D+01
               236           237           238           239           240 
      1   0.136773D+02 -0.551097D+01  0.174672D+02  0.755201D+01 -0.195403D+01
      2  -0.592688D+00  0.218703D+01  0.268949D+01  0.110939D+02 -0.632811D+00
      3  -0.130846D+02  0.332395D+01 -0.201567D+02 -0.186459D+02  0.258685D+01
      4   0.261913D+02 -0.553718D+01  0.393208D+02  0.412425D+02 -0.720227D+01
      5  -0.400415D+01  0.445452D+01 -0.615153D+01 -0.483387D+01  0.588840D+01
      6  -0.248035D+01  0.227607D+01 -0.414382D+01 -0.461775D+01  0.478291D+01
               241           242           243           244           245 
      1  -0.731222D+01 -0.237623D+01 -0.687108D+00  0.680396D+00 -0.636727D+01
      2   0.172724D+01 -0.660912D+00  0.114636D+01  0.507875D+01 -0.246973D+01
      3   0.558498D+01  0.303714D+01 -0.459248D+00 -0.575915D+01  0.883700D+01
      4  -0.830411D+01 -0.695239D+01  0.334572D+01 -0.202431D+02  0.217570D+02
      5  -0.357408D+00  0.218974D+01 -0.126888D+01  0.266516D+01 -0.149279D+01
      6  -0.140022D+00  0.223346D+01 -0.107692D+01 -0.858612D+00  0.155463D+00
               246           247           248           249           250 
      1   0.969795D+00 -0.284980D+01 -0.159024D+02  0.111406D+01  0.672723D+00
      2  -0.448504D+00 -0.941915D+01  0.339113D+02 -0.960542D+00 -0.574701D-02
      3  -0.521291D+00  0.122690D+02 -0.180089D+02 -0.153521D+00 -0.666976D+00
      4  -0.415027D+00  0.294923D+02 -0.551471D+02  0.301529D+01 -0.962280D+00
      5   0.268138D+01 -0.300830D+01  0.630634D+01 -0.615885D+01  0.242751D+01
      6  -0.166355D+01  0.167799D+01 -0.331930D+01  0.625658D+01 -0.259610D+01
               251           252           253           254           255 
      1   0.220244D+01 -0.146327D+01 -0.789156D+00  0.147071D+01 -0.132550D+02
      2  -0.234805D+01  0.263289D+01 -0.899125D+00 -0.684416D+00  0.513534D+01
      3   0.145610D+00 -0.116962D+01  0.168828D+01 -0.786296D+00  0.811965D+01
      4   0.330964D+01 -0.216710D+01 -0.410037D+00 -0.104230D+01 -0.159003D+01
      5  -0.125947D+01  0.466251D+00 -0.106822D+02 -0.955657D+00 -0.722567D+00
      6   0.325913D+01 -0.880237D+00 -0.181293D+01  0.455356D+00 -0.124809D+01
               256           257           258           259           260 
      1   0.124555D+02  0.390975D+01 -0.137061D+01 -0.361737D+02 -0.165315D+01
      2  -0.751382D+01 -0.153498D+01  0.320011D+01  0.254404D+02  0.410647D+01
      3  -0.494168D+01 -0.237477D+01 -0.182950D+01  0.107333D+02 -0.245332D+01
      4   0.232397D+02  0.255564D+02 -0.216978D+02 -0.174760D+02 -0.210090D+02
      5  -0.165312D+02 -0.211633D+02  0.346358D+02  0.437016D+02  0.318901D+02
      6  -0.598271D+01 -0.873217D+01  0.122833D+02  0.997525D+01  0.114482D+02
               261           262           263           264           265 
      1   0.486236D+01  0.189803D+02  0.824700D+01  0.139102D+02  0.312657D+02
      2  -0.171862D+02 -0.819116D+01 -0.303377D+01 -0.677788D+01 -0.119565D+02
      3   0.123238D+02 -0.107892D+02 -0.521323D+01 -0.713232D+01 -0.193091D+02
      4   0.308124D+02  0.102363D+02  0.721561D+01  0.782271D+01  0.396047D+02
      5  -0.698976D+02  0.171354D+02  0.747238D+01  0.367938D+01  0.211776D+02
      6  -0.156346D+02  0.334481D+01  0.969148D+00 -0.169952D+00  0.563297D+01
               266           267           268           269           270 
      1   0.167911D+02  0.103526D+02  0.487363D+02  0.139145D+02  0.115938D+02
      2  -0.110250D+01 -0.117789D+01 -0.237117D+02 -0.393030D+01 -0.774654D+01
      3  -0.156886D+02 -0.917472D+01 -0.250247D+02 -0.998421D+01 -0.384724D+01
      4   0.430960D+02  0.243666D+02  0.283843D+02  0.292128D+02  0.291660D+02
      5   0.257889D+02  0.311941D+02  0.347797D+02  0.310686D+02  0.417200D+02
      6   0.690322D+01  0.831621D+01  0.892441D+01  0.875660D+01  0.839676D+01
               271           272           273           274           275 
      1   0.184047D+03 -0.340717D+02 -0.119130D+02 -0.753805D+02  0.267435D+02
      2  -0.963527D+02  0.178678D+02  0.741741D+01  0.389923D+02 -0.126547D+02
      3  -0.876945D+02  0.162039D+02  0.449560D+01  0.363881D+02 -0.140888D+02
      4  -0.386640D+02  0.201312D+02  0.388234D+01  0.342551D+02 -0.232554D+02
      5  -0.163580D+02  0.413718D+01  0.171620D+02  0.834354D+01 -0.173336D+01
      6   0.349349D+01 -0.149461D+01 -0.609260D+00 -0.274332D+01  0.203130D+01
               276           277           278           279 
      1   0.622762D+01 -0.727620D+01  0.292521D+01  0.161378D+02
      2  -0.346271D+01  0.552571D+01 -0.128265D+01 -0.973808D+01
      3  -0.276491D+01  0.175049D+01 -0.164256D+01 -0.639968D+01
      4  -0.170455D+01  0.344009D+01  0.341784D+00 -0.676515D+00
      5  -0.593184D+01  0.244447D+02 -0.522186D+00 -0.591683D+01
      6   0.207558D+01 -0.115958D+01  0.255879D+01  0.257685D-01
 Leave Link  716 at Thu Aug 12 21:37:34 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.317891D+03  0.148220D+02 -0.163469D+02
      2   0.148220D+02  0.174301D+03 -0.564060D+01
      3  -0.163469D+02 -0.564060D+01  0.117951D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.111798D+02 -0.294250D+02  0.127613D+02
      2   0.839932D+02  0.173295D+02  0.169551D+02
      3   0.459324D+02  0.534102D+02 -0.211232D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.347582D+03 -0.453246D+02  0.915161D+02
      2   0.162714D+03  0.240020D+02 -0.485062D+02
      3   0.184868D+03  0.213226D+02 -0.430100D+02
      4  -0.573757D+02 -0.117151D+03  0.408818D+02
      5   0.265509D+02  0.449305D+02  0.422248D+02
      6   0.124828D+02 -0.703789D+02 -0.349003D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.443619D+02  0.952078D+01 -0.378065D+01 -0.441664D+02 -0.513218D+01
      2   0.952078D+01  0.495903D+01 -0.171146D+01 -0.513218D+01 -0.540454D+01
      3  -0.378065D+01 -0.171146D+01 -0.592863D-01  0.464404D+01  0.944147D+00
                 6             7             8             9            10 
      1   0.464404D+01  0.642382D+00 -0.476330D+00  0.126627D+01 -0.364536D+02
      2   0.944147D+00 -0.476330D+00 -0.159885D+00 -0.830395D+00 -0.877298D+01
      3  -0.441439D+00  0.126627D+01 -0.830395D+00  0.179802D+00  0.306435D+01
                11            12            13            14            15 
      1  -0.877298D+01  0.306435D+01  0.483347D+02  0.610382D+01 -0.528203D+01
      2  -0.122294D+01  0.639013D+00  0.610382D+01  0.709850D+01 -0.155842D+01
      3   0.639013D+00 -0.457799D+00 -0.528203D+01 -0.155842D+01  0.422026D+00
                16            17            18            19            20 
      1  -0.445972D+00  0.460035D+00 -0.555428D+00 -0.535662D+02 -0.108650D+02
      2   0.460035D+00 -0.383901D+00  0.957081D+00 -0.108650D+02 -0.986595D+01
      3  -0.555428D+00  0.957081D+00 -0.316443D+00  0.361860D+01  0.170319D+01
                21            22            23            24            25 
      1   0.361860D+01 -0.223709D+02 -0.257349D+01  0.133409D+00  0.919118D+01
      2   0.170319D+01 -0.257349D+01 -0.620674D+01  0.583459D+00  0.366028D+00
      3  -0.744468D+00  0.133409D+00  0.583459D+00 -0.226760D+01  0.568343D+00
                26            27            28            29            30 
      1   0.366028D+00  0.568343D+00  0.612033D+02  0.587889D+01 -0.600204D+00
      2   0.125121D+01 -0.403830D+01  0.587889D+01  0.499337D+01 -0.738352D+00
      3  -0.403830D+01  0.617935D+00 -0.600204D+00 -0.738352D+00  0.222010D+01
                31            32            33            34            35 
      1   0.702060D+01  0.325336D+01  0.575195D-01 -0.514860D+01 -0.385600D+00
      2   0.325336D+01  0.164259D+02 -0.289584D+01 -0.385600D+00 -0.300791D+01
      3   0.575195D-01 -0.289584D+01  0.515829D+00  0.661613D+01  0.127676D+01
                36            37            38            39            40 
      1   0.661613D+01  0.536600D+01 -0.163272D+01 -0.154104D+00  0.119293D+02
      2   0.127676D+01 -0.163272D+01  0.138770D+02 -0.147238D+01  0.105103D+01
      3  -0.155412D+01 -0.154104D+00 -0.147238D+01  0.184732D+01  0.444380D+00
                41            42            43            44            45 
      1   0.105103D+01  0.444380D+00 -0.114156D+01  0.121466D+01  0.475519D+01
      2  -0.891019D+01  0.162845D+01  0.121466D+01 -0.617956D+00  0.221056D+01
      3   0.162845D+01  0.737970D+00  0.475519D+01  0.221056D+01 -0.249173D+01
                46            47            48            49            50 
      1  -0.925035D+01  0.254377D+01  0.140555D+01  0.227680D+01  0.367500D+01
      2   0.254377D+01 -0.973028D+01  0.200947D+01  0.367500D+01  0.607625D+00
      3   0.140555D+01  0.200947D+01 -0.170042D+01 -0.483255D+00  0.255699D+00
                51            52            53            54            55 
      1  -0.483255D+00  0.681658D+00 -0.134534D+00 -0.123999D+01  0.103975D+01
      2   0.255699D+00 -0.134534D+00  0.224824D+01  0.431930D+01 -0.319818D+01
      3   0.141910D+01 -0.123999D+01  0.431930D+01 -0.905966D+00 -0.906738D-01
                56            57            58            59            60 
      1  -0.319818D+01 -0.906738D-01 -0.381176D+01 -0.444929D+01  0.406702D+00
      2   0.550711D+01 -0.335149D+00 -0.444929D+01 -0.222943D+01  0.909045D-01
      3  -0.335149D+00  0.164840D+01  0.406702D+00  0.909045D-01 -0.135803D+01
                61            62            63            64            65 
      1   0.145197D+00  0.363340D+00  0.133712D+00  0.103593D+01 -0.216520D+01
      2   0.363340D+00 -0.142572D+01 -0.419145D+01 -0.216520D+01  0.961090D+00
      3   0.133712D+00 -0.419145D+01  0.527177D+00 -0.173521D+00  0.250746D+00
                66            67            68            69            70 
      1  -0.173521D+00 -0.285699D+01  0.299581D+01  0.114671D+00 -0.525073D+00
      2   0.250746D+00  0.299581D+01 -0.656117D+01 -0.682702D-01  0.163963D+00
      3   0.591787D-01  0.114671D+00 -0.682702D-01 -0.648668D+00 -0.120364D+00
                71            72            73            74            75 
      1   0.163963D+00 -0.120364D+00  0.623827D+01  0.348625D+01 -0.112659D+01
      2   0.411034D+00 -0.610521D-01  0.348625D+01  0.341348D+01 -0.790586D+00
      3  -0.610521D-01 -0.845079D-02 -0.112659D+01 -0.790586D+00  0.676925D+00
                76            77            78            79            80 
      1   0.416019D+01  0.453630D+01 -0.101692D+01 -0.137658D+01 -0.924060D+00
      2   0.453630D+01  0.543044D+01 -0.113191D+01 -0.924060D+00 -0.890981D+00
      3  -0.101692D+01 -0.113191D+01  0.928617D+00 -0.169954D+00  0.576543D+00
                81            82            83            84            85 
      1  -0.169954D+00 -0.840816D+00  0.160962D+01 -0.108185D+00  0.667598D+00
      2   0.576543D+00  0.160962D+01 -0.235295D+01  0.124223D+00 -0.134630D+01
      3  -0.196752D+00 -0.108185D+00  0.124223D+00 -0.167697D+00  0.219969D+00
                86            87            88            89            90 
      1  -0.134630D+01  0.219969D+00 -0.107296D+00 -0.107671D+00  0.994092D-01
      2   0.111481D+02 -0.114010D+01 -0.107671D+00 -0.999953D+00  0.315190D+00
      3  -0.114010D+01  0.993592D+00  0.994092D-01  0.315190D+00 -0.162826D+00
                91            92            93            94            95 
      1  -0.298178D+02 -0.344021D+01 -0.210565D+01 -0.803026D+00 -0.212544D+01
      2  -0.344021D+01 -0.103840D+01 -0.315715D+00 -0.212544D+01  0.117046D+01
      3  -0.210565D+01 -0.315715D+00 -0.321656D+01  0.588812D+00  0.331747D+01
                96            97            98            99           100 
      1   0.588812D+00 -0.112364D+02 -0.916229D+00 -0.670718D+01 -0.707771D+01
      2   0.331747D+01 -0.916229D+00  0.214217D+01 -0.186259D+01  0.167860D+01
      3  -0.575389D+00 -0.670718D+01 -0.186259D+01 -0.512076D+00  0.191654D+01
               101           102           103           104           105 
      1   0.167860D+01  0.191654D+01 -0.224050D+01  0.222872D+01  0.640174D+00
      2   0.172004D+01  0.827184D+00  0.222872D+01 -0.142806D+01 -0.333385D+01
      3   0.827184D+00  0.362947D+01  0.640174D+00 -0.333385D+01  0.979921D+00
               106           107           108           109           110 
      1   0.253384D+01  0.875674D+00  0.233243D+01 -0.437544D+01 -0.138049D+01
      2   0.875674D+00 -0.242526D+01  0.262925D+01 -0.138049D+01 -0.660092D+00
      3   0.233243D+01  0.262925D+01  0.343583D+01 -0.615289D+00 -0.523669D+00
               111           112           113           114           115 
      1  -0.615289D+00 -0.218773D+01  0.786367D+00  0.182143D-02  0.183916D+02
      2  -0.523669D+00  0.786367D+00 -0.268372D+00 -0.210851D+00  0.847734D+00
      3   0.793968D+00  0.182143D-02 -0.210851D+00  0.425872D+00  0.680686D+01
               116           117           118           119           120 
      1   0.847734D+00  0.680686D+01  0.447773D+01  0.189670D+01 -0.166814D+01
      2   0.406621D+00  0.447570D+00  0.189670D+01  0.101005D+01 -0.557330D+00
      3   0.447570D+00  0.305249D+00 -0.166814D+01 -0.557330D+00  0.171700D+01
               121           122           123           124           125 
      1   0.656292D+01  0.179830D+01 -0.131534D+01 -0.221281D+01 -0.538404D+00
      2   0.179830D+01  0.255958D+01 -0.202990D+01 -0.538404D+00 -0.191627D+01
      3  -0.131534D+01 -0.202990D+01  0.185605D+01  0.275786D+01  0.169153D+01
               126           127           128           129           130 
      1   0.275786D+01 -0.824543D+00 -0.235874D+00 -0.120624D+01  0.713589D+00
      2   0.169153D+01 -0.235874D+00 -0.110052D+01 -0.102695D+01 -0.294612D+00
      3  -0.352162D+01 -0.120624D+01 -0.102695D+01 -0.265391D+01 -0.799174D-01
               131           132           133           134           135 
      1  -0.294612D+00 -0.799174D-01 -0.155557D+01  0.356100D+00 -0.303485D+00
      2  -0.108831D+01 -0.990994D+00  0.356100D+00 -0.187002D+01 -0.260583D+01
      3  -0.990994D+00 -0.130091D+01 -0.303485D+00 -0.260583D+01 -0.746993D+01
               136           137           138           139           140 
      1  -0.129235D+00 -0.399892D+00  0.432236D+00 -0.121254D+01  0.419800D+00
      2  -0.399892D+00 -0.986401D+00  0.266189D-01  0.419800D+00 -0.436749D+01
      3   0.432236D+00  0.266189D-01 -0.783467D+00  0.496149D-01  0.151342D+01
               141           142           143           144           145 
      1   0.496149D-01  0.127786D+01 -0.766001D+00 -0.297616D+00  0.127732D+02
      2   0.151342D+01 -0.766001D+00  0.289618D+01 -0.152090D+01 -0.325991D+01
      3  -0.158715D+01 -0.297616D+00 -0.152090D+01  0.172771D+01 -0.231429D+01
               146           147           148           149           150 
      1  -0.325991D+01 -0.231429D+01 -0.182337D+01  0.132297D+01  0.112463D+00
      2   0.188574D+01  0.781108D+00  0.132297D+01 -0.511495D+00  0.824603D-02
      3   0.781108D+00  0.149104D+01  0.112463D+00  0.824603D-02 -0.971633D-01
               151           152           153           154           155 
      1  -0.137646D+01  0.203135D+00  0.129396D+01  0.199942D+02  0.281038D+01
      2   0.203135D+00  0.871665D-01 -0.570598D+00  0.281038D+01  0.232945D+01
      3   0.129396D+01 -0.570598D+00 -0.993562D+00  0.164160D+01  0.774477D+00
               156           157           158           159           160 
      1   0.164160D+01  0.404556D+01  0.438245D+01  0.248652D+00  0.246917D+01
      2   0.774477D+00  0.438245D+01  0.206636D+01  0.511509D+00  0.589599D+00
      3   0.320659D+01  0.248652D+00  0.511509D+00  0.398318D+00  0.278704D+01
               161           162           163           164           165 
      1   0.589599D+00  0.278704D+01  0.175008D+02  0.607134D+00  0.572148D+01
      2  -0.108970D+00  0.642172D+00  0.607134D+00 -0.464564D+00 -0.302966D+00
      3   0.642172D+00  0.581426D+00  0.572148D+01 -0.302966D+00  0.137085D+01
               166           167           168           169           170 
      1   0.309464D+01 -0.301088D+00  0.567348D+00 -0.371382D+00 -0.678418D+00
      2  -0.301088D+00 -0.293633D+00  0.125507D+01 -0.678418D+00  0.538415D+00
      3   0.567348D+00  0.125507D+01 -0.107410D-02  0.135911D+00  0.146967D+00
               171           172           173           174           175 
      1   0.135911D+00 -0.128885D+02  0.835312D-01 -0.329295D+01 -0.151529D+01
      2   0.146967D+00  0.835312D-01 -0.609455D-01  0.238528D+00  0.420677D+00
      3   0.687720D+01 -0.329295D+01  0.238528D+00 -0.350095D+01 -0.502762D+00
               176           177           178           179           180 
      1   0.420677D+00 -0.502762D+00 -0.838850D+01  0.642366D-01 -0.300700D+01
      2  -0.164603D+00  0.723370D+00  0.642366D-01  0.113620D+01 -0.122961D+00
      3   0.723370D+00 -0.638170D+00 -0.300700D+01 -0.122961D+00 -0.400744D-01
               181           182           183           184           185 
      1  -0.464421D+01  0.646543D+00 -0.209852D+00 -0.162774D+02 -0.228985D+01
      2   0.646543D+00 -0.104645D+02  0.844147D-01 -0.228985D+01  0.466618D+01
      3  -0.209852D+00  0.844147D-01 -0.173498D+01  0.141012D+01 -0.341841D+00
               186           187           188           189           190 
      1   0.141012D+01  0.111232D+01 -0.609488D+00 -0.435592D+01 -0.374924D+02
      2  -0.341841D+00 -0.609488D+00  0.164210D+00 -0.274279D+01 -0.595458D+01
      3  -0.118746D+01 -0.435592D+01 -0.274279D+01  0.185824D+01  0.305189D+01
               191           192           193           194           195 
      1  -0.595458D+01  0.305189D+01 -0.123349D+01 -0.347292D+01 -0.763182D+00
      2  -0.939784D+01  0.115361D+01 -0.347292D+01 -0.121817D+02  0.973355D+00
      3   0.115361D+01 -0.282992D+01 -0.763182D+00  0.973355D+00  0.394328D+00
               196           197           198           199           200 
      1   0.283240D+01  0.218851D+00 -0.743850D+01  0.396482D+02  0.108308D+02
      2   0.218851D+00  0.228789D+01 -0.787887D+00  0.108308D+02  0.771712D+01
      3  -0.743850D+01 -0.787887D+00  0.177158D+01 -0.418593D+01 -0.834241D+00
               201           202           203           204           205 
      1  -0.418593D+01  0.172825D+02  0.403641D+01 -0.191178D+01 -0.667519D+01
      2  -0.834241D+00  0.403641D+01  0.586206D+01 -0.189055D+00 -0.117445D+01
      3   0.599109D+00 -0.191178D+01 -0.189055D+00  0.202064D+01  0.177300D+00
               206           207           208           209           210 
      1  -0.117445D+01  0.177300D+00  0.679638D+01  0.403800D+01 -0.150193D+01
      2  -0.573035D+00  0.477227D+01  0.403800D+01  0.375746D+01 -0.813872D+00
      3   0.477227D+01 -0.118580D+01 -0.150193D+01 -0.813872D+00 -0.186456D+00
               211           212           213           214           215 
      1  -0.301227D+01 -0.379402D+01  0.619845D+00 -0.562110D+00 -0.815749D-02
      2  -0.379402D+01  0.118912D+01  0.274071D+00 -0.815749D-02 -0.417057D+00
      3   0.619845D+00  0.274071D+00 -0.105670D+01 -0.534105D-01  0.819470D+00
               216           217           218           219           220 
      1  -0.534105D-01 -0.153013D+01 -0.463190D+01  0.105718D+01 -0.207844D+01
      2   0.819470D+00 -0.463190D+01 -0.103011D+01  0.125383D+01  0.337340D+01
      3   0.216589D-01  0.105718D+01  0.125383D+01  0.140675D-01  0.108026D+01
               221           222           223           224           225 
      1   0.337340D+01  0.108026D+01  0.111315D+01  0.107907D+01  0.251141D+01
      2   0.165131D+01  0.666091D+00  0.107907D+01  0.951174D+00  0.441695D+01
      3   0.666091D+00  0.592563D+01  0.251141D+01  0.441695D+01 -0.218747D+01
               226           227           228           229           230 
      1   0.378655D+00 -0.151891D+01  0.112123D+00 -0.364950D+00  0.695334D+00
      2  -0.151891D+01  0.211068D+01 -0.225298D-01  0.695334D+00 -0.100577D+02
      3   0.112123D+00 -0.225298D-01  0.138357D+00 -0.115647D+00  0.738022D+00
               231           232           233           234           235 
      1  -0.115647D+00  0.182468D-01  0.741328D-01 -0.482362D-01 -0.690793D+01
      2   0.738022D+00  0.741328D-01  0.803301D+00 -0.225230D+00 -0.326030D+01
      3  -0.870923D+00 -0.482362D-01 -0.225230D+00  0.125493D+00  0.109776D+01
               236           237           238           239           240 
      1  -0.326030D+01  0.109776D+01 -0.487355D+01 -0.445946D+01  0.946900D+00
      2  -0.273849D+01  0.576000D+00 -0.445946D+01 -0.487753D+01  0.903089D+00
      3   0.576000D+00 -0.457538D+00  0.946900D+00  0.903089D+00 -0.755764D+00
               241           242           243           244           245 
      1   0.147438D+01  0.888937D+00  0.206070D+00 -0.135483D+01  0.259009D+01
      2   0.888937D+00  0.816107D+00 -0.292572D+00  0.259009D+01 -0.220030D+01
      3   0.206070D+00 -0.292572D+00  0.510538D-01 -0.203480D+00 -0.428110D-01
               246           247           248           249           250 
      1  -0.203480D+00  0.326057D+01 -0.383030D+01  0.183830D+00 -0.276982D+00
      2  -0.428110D-01 -0.383030D+01  0.855453D+01 -0.452842D+00  0.920946D-01
      3  -0.272071D+00  0.183830D+00 -0.452842D+00  0.921426D+00 -0.233549D+00
               251           252           253           254           255 
      1   0.920946D-01 -0.233549D+00  0.108525D+01  0.197770D+00  0.732935D+00
      2  -0.623742D+00  0.191370D+00  0.197770D+00  0.477194D+00 -0.984685D-01
      3   0.191370D+00 -0.684232D-01  0.732935D+00 -0.984685D-01  0.508027D+00
               256           257           258           259           260 
      1  -0.165984D+01 -0.174385D+01  0.131345D+01  0.436703D+01  0.139296D+01
      2  -0.174385D+01 -0.214528D+01  0.198679D+01  0.139296D+01  0.182426D+01
      3   0.131345D+01  0.198679D+01 -0.302017D+01 -0.355629D+01 -0.290734D+01
               261           262           263           264           265 
      1  -0.355629D+01 -0.661723D+00 -0.556434D+00 -0.147415D+01 -0.346636D+01
      2  -0.290734D+01 -0.556434D+00 -0.153842D+00 -0.545748D+00 -0.297757D+01
      3   0.654614D+01 -0.147415D+01 -0.545748D+00 -0.578106D-01 -0.168400D+01
               266           267           268           269           270 
      1  -0.297757D+01 -0.168400D+01 -0.545807D+01 -0.224472D+01 -0.268758D+01
      2  -0.350034D+01 -0.212793D+01 -0.224472D+01 -0.248848D+01 -0.261350D+01
      3  -0.212793D+01 -0.253419D+01 -0.268758D+01 -0.261350D+01 -0.348181D+01
               271           272           273           274           275 
      1  -0.140842D+02  0.285373D+01  0.959597D+00  0.660581D+01 -0.228937D+01
      2   0.285373D+01 -0.125069D+01 -0.310189D+00 -0.228937D+01  0.176648D+01
      3   0.959597D+00 -0.310189D+00 -0.109706D+01 -0.629152D+00  0.986478D-01
               276           277           278           279 
      1  -0.629152D+00  0.608137D+00 -0.286494D+00 -0.167341D+01
      2   0.986478D-01 -0.286494D+00 -0.550302D-01 -0.395779D-01
      3   0.401494D+00 -0.167341D+01 -0.395779D-01  0.470567D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.190997D+01  0.457687D+01 -0.690759D+00  0.517692D+01  0.549632D+01
      2   0.181275D+02  0.674651D+01 -0.739026D+00 -0.143677D+02  0.672246D+00
      3   0.933107D-01  0.430998D+02 -0.387369D+01  0.337409D+02  0.248291D+02
                 6             7             8             9            10 
      1  -0.107992D+01  0.351860D+01  0.644035D+01 -0.781742D+00  0.264351D+01
      2   0.760796D+00 -0.199426D+02 -0.314828D+01  0.245364D+01 -0.206716D+02
      3  -0.475117D+01 -0.335202D+01 -0.881116D+01 -0.484828D-02  0.260422D+01
                11            12            13            14            15 
      1   0.683890D+01 -0.820485D+00  0.792046D+01  0.120486D+01 -0.346995D+00
      2   0.206637D+00 -0.244998D+01  0.207177D+02  0.359838D+01 -0.269161D+01
      3   0.467908D+02 -0.447154D+01  0.695570D+02  0.238804D+02 -0.919133D+01
                16            17            18            19            20 
      1   0.237410D+01  0.590751D+01 -0.914844D+00  0.266173D+01 -0.908077D+00
      2  -0.232805D+02 -0.190456D+01  0.286966D+01 -0.280200D+02 -0.903383D+01
      3  -0.584205D+01 -0.861237D+01  0.246892D+01  0.855215D+01 -0.352156D+02
                21            22            23            24            25 
      1  -0.382468D+00 -0.591576D+00  0.428940D+01 -0.257739D+01  0.627446D+01
      2   0.306867D+00 -0.155275D+02 -0.217617D+01 -0.160011D+01 -0.167687D+02
      3   0.166123D+01  0.255760D+01  0.348625D+01 -0.367122D+00  0.518186D+01
                26            27            28            29            30 
      1   0.115828D+01  0.285877D+01  0.435493D+01  0.966627D+00 -0.197235D+00
      2  -0.737133D+01  0.248371D+01  0.383910D+02  0.461571D+01  0.120729D+01
      3   0.542006D+01  0.265264D+01  0.154939D+02  0.117055D+02 -0.952812D+00
                31            32            33            34            35 
      1   0.658496D+01 -0.623907D+01  0.313902D+01 -0.146198D+01  0.165795D+02
      2   0.487593D+01  0.723629D+00  0.256939D+00 -0.163175D+02 -0.204882D+01
      3   0.336418D+02  0.188118D+01  0.333061D+01 -0.457538D+01 -0.179798D+01
                36            37            38            39            40 
      1  -0.288069D+01  0.230515D+01 -0.571340D+01 -0.340325D+01 -0.349987D+01
      2   0.869204D+00  0.789411D+00  0.626097D+00  0.204847D+01  0.704897D+01
      3  -0.275715D+00  0.313046D+02  0.140789D+01 -0.588943D+00 -0.351996D+01
                41            42            43            44            45 
      1   0.606256D+01 -0.155836D+01 -0.175936D+02  0.811158D+01  0.146893D+01
      2   0.260025D+01  0.108531D+01 -0.861008D+01  0.812578D+01  0.111538D+01
      3   0.633024D+01 -0.250415D+01 -0.673760D+00 -0.216141D+01  0.779263D+01
                46            47            48            49            50 
      1  -0.598049D+01  0.425338D+00  0.391254D+01 -0.265629D+01 -0.470365D+01
      2  -0.579635D+01 -0.894149D+00  0.132313D+01 -0.950952D+00 -0.109942D+01
      3  -0.542232D+02 -0.328850D+02  0.657821D+01 -0.116181D+02 -0.262928D+02
                51            52            53            54            55 
      1  -0.272520D+01  0.905587D+01 -0.549946D+01 -0.325045D+01 -0.159435D+01
      2   0.858601D+00 -0.181641D+02  0.200392D+01  0.208080D+00 -0.803192D+01
      3   0.378964D+01  0.873871D+01  0.599469D+01 -0.753837D+01 -0.306504D+02
                56            57            58            59            60 
      1  -0.637241D+01  0.412509D+01  0.108302D+01 -0.366950D+01 -0.184448D+01
      2  -0.390224D+01 -0.342317D+01 -0.484944D+01 -0.365360D+01  0.354699D+01
      3  -0.366099D+02  0.497939D+01 -0.368938D+01 -0.296561D+02  0.166708D+01
                61            62            63            64            65 
      1   0.566547D+01 -0.309707D+01 -0.621062D+00  0.345060D+00  0.732889D+00
      2  -0.227662D+02  0.645164D+01  0.732556D+00 -0.619682D+00 -0.294504D+00
      3   0.437705D+01  0.629437D+01 -0.117913D+02 -0.115161D+01  0.171641D+01
                66            67            68            69            70 
      1   0.553849D+00 -0.442358D+00  0.169960D+01 -0.332409D+01  0.128021D+00
      2  -0.191854D+00 -0.748913D+00  0.861482D+00 -0.112472D+01 -0.207059D+01
      3   0.113983D+00  0.529154D+01  0.420719D+01 -0.596372D+00 -0.289994D-01
                71            72            73            74            75 
      1   0.210258D+01 -0.254289D+00 -0.190320D+00 -0.124398D+01 -0.227404D+01
      2   0.138375D+01 -0.646693D-01  0.361459D+01  0.131699D+01  0.159669D+01
      3  -0.462710D+00 -0.882756D+00  0.939503D+01  0.261771D+00 -0.883838D+00
                76            77            78            79            80 
      1  -0.146834D+01 -0.209884D+01 -0.260115D+01  0.321236D+01  0.123486D+01
      2   0.187757D+01  0.147922D+01  0.217504D+01 -0.307777D+01 -0.240181D-01
      3   0.175443D+01 -0.142295D+01 -0.156411D+00 -0.191573D+01  0.174007D+00
                81            82            83            84            85 
      1  -0.230539D+00 -0.117934D+01  0.150032D+01  0.122111D+01  0.326744D+00
      2  -0.653262D+00 -0.740558D+00  0.876467D+00  0.610925D+00  0.706892D+00
      3  -0.128835D+01 -0.513940D+01  0.287677D+01  0.175763D-01  0.501538D+01
                86            87            88            89            90 
      1  -0.424383D+01 -0.437915D+01 -0.124466D+01  0.249663D+01  0.395714D+00
      2  -0.130322D+01 -0.831687D+00 -0.182623D+00 -0.990412D+00  0.217600D+00
      3  -0.404232D+01  0.731725D+00  0.586644D+00  0.525681D+00  0.103855D+01
                91            92            93            94            95 
      1  -0.136681D+01  0.924038D+00 -0.159471D+00 -0.257214D+01 -0.872609D-01
      2  -0.273391D+02 -0.260611D+01 -0.101654D+02  0.145845D+01  0.859811D+01
      3  -0.129542D+01 -0.360319D+01 -0.966656D+00  0.175568D+02 -0.607111D+01
                96            97            98            99           100 
      1  -0.344128D+01 -0.290994D+01  0.314345D+01  0.355573D+01  0.513229D+00
      2  -0.127184D+01 -0.456237D+02 -0.630588D+01 -0.603546D+01 -0.230299D+01
      3  -0.132213D+02 -0.278878D+01 -0.131364D+02  0.615110D+01  0.111408D+02
               101           102           103           104           105 
      1  -0.328744D+01  0.394591D+01 -0.878215D+00 -0.407502D+01  0.566260D+01
      2   0.478678D+01  0.171709D+02  0.113494D+01 -0.887723D+01  0.435014D+01
      3  -0.170057D+02 -0.676530D+01 -0.111540D+02  0.240086D+00  0.143843D+02
               106           107           108           109           110 
      1   0.124800D+00  0.104262D+02  0.160711D+01 -0.677380D+01 -0.213331D+01
      2   0.880313D+01  0.100258D+02  0.147107D+02  0.229876D+02  0.237725D+01
      3  -0.515803D+01  0.967102D+01 -0.156396D+02  0.124465D+01  0.165725D+02
               111           112           113           114           115 
      1   0.399700D+01 -0.135965D+02 -0.354644D+01 -0.169999D+02  0.426144D+01
      2   0.123535D+01 -0.176435D+01  0.375558D+00 -0.287479D+01  0.280615D+02
      3   0.425536D+00  0.130477D+02  0.889848D+01  0.306581D+01  0.107880D+01
               116           117           118           119           120 
      1  -0.433722D+01  0.178506D+01 -0.695278D+00 -0.130269D+01  0.521933D+00
      2  -0.727947D+00  0.671755D+00 -0.342609D+01 -0.792814D+00  0.605693D+01
      3   0.592220D+01 -0.945177D+00 -0.776907D+01 -0.597787D+01  0.217853D+01
               121           122           123           124           125 
      1   0.435317D-01 -0.235094D+01  0.568464D+00  0.342142D+00  0.282326D+01
      2   0.616103D+00 -0.527908D+01  0.577728D+01  0.672412D+01  0.493875D+01
      3  -0.188163D+01 -0.897475D+01  0.720531D+01  0.221272D+01  0.857229D+01
               126           127           128           129           130 
      1  -0.101877D+01 -0.113858D+01  0.149105D+01 -0.272881D+01  0.308136D+00
      2  -0.925444D+01 -0.760761D+01 -0.320461D+01 -0.977208D+01  0.256395D+00
      3  -0.648064D+01  0.375860D+01  0.519969D+01  0.647197D+01  0.321652D+01
               131           132           133           134           135 
      1  -0.726770D-02 -0.213394D+01 -0.176187D+01  0.120594D+01 -0.768861D+01
      2  -0.386763D+01 -0.482960D+01 -0.596177D+01 -0.844722D+01 -0.258829D+02
      3   0.436058D+01  0.449375D+01  0.285169D+01  0.650082D+01  0.129444D+02
               136           137           138           139           140 
      1   0.189440D+01  0.144034D+01 -0.217196D+01  0.365285D+00  0.800272D+01
      2   0.211604D+01 -0.608579D+00 -0.206045D+01 -0.609725D+00  0.551410D+01
      3   0.536707D+01  0.504303D+01 -0.177813D+01  0.326318D+01  0.178251D+02
               141           142           143           144           145 
      1  -0.708335D+01 -0.382560D+00 -0.509932D+01  0.679288D+01  0.371570D+00
      2  -0.524370D+01 -0.176032D+01 -0.542528D+01  0.561918D+01  0.721141D+01
      3  -0.706939D+01 -0.184721D+01 -0.115124D+02  0.827254D+01 -0.651212D+01
               146           147           148           149           150 
      1  -0.172784D+01  0.180437D+01 -0.121100D+01  0.702364D+00 -0.125715D+01
      2  -0.372199D+00  0.556662D+01 -0.135789D+01  0.191146D+01 -0.238585D+00
      3  -0.599923D+01 -0.210810D+00 -0.138173D+01  0.795269D+00 -0.146914D+01
               151           152           153           154           155 
      1   0.128451D+01 -0.520699D+00 -0.427906D+00  0.529994D+01  0.202256D+01
      2   0.261708D+01 -0.154277D+01 -0.240691D+01 -0.994286D+01  0.291398D+00
      3   0.126221D+01 -0.135919D+01  0.548396D+00 -0.705650D+01 -0.265037D+02
               156           157           158           159           160 
      1  -0.399495D+01  0.995092D+01  0.257127D+01  0.111011D+01 -0.201093D+01
      2   0.237602D+02  0.323642D+01 -0.111996D+01  0.417360D+01  0.789126D+01
      3  -0.152149D+01 -0.166768D+02 -0.114605D+02 -0.194526D+01 -0.425090D+00
               161           162           163           164           165 
      1   0.309728D+01 -0.257348D+00  0.651016D+01  0.207730D+01  0.133679D+01
      2   0.319840D+01  0.275995D+01 -0.928437D+01 -0.293179D+01  0.170940D+01
      3  -0.311653D+01 -0.180612D+01 -0.329709D+01 -0.292501D+01  0.520195D+00
               166           167           168           169           170 
      1   0.499996D+01 -0.395791D+00  0.490853D+01  0.202709D+01  0.769490D+01
      2  -0.243348D+01  0.594162D+01  0.463189D+00 -0.122298D+02  0.519872D+00
      3   0.179815D+01  0.669664D+00 -0.561515D+01  0.151102D+01 -0.293732D+01
               171           172           173           174           175 
      1  -0.133218D+01 -0.626823D+01 -0.162902D+01 -0.222721D+01 -0.593453D+01
      2   0.226923D+02  0.217624D+02  0.162695D+01 -0.628623D+01  0.344933D+01
      3   0.593495D+00  0.270912D+01  0.159527D+01  0.117373D-02  0.477665D+01
               176           177           178           179           180 
      1   0.259615D+00 -0.287616D+01 -0.200500D+01 -0.112661D+01 -0.631116D+00
      2   0.225205D+01 -0.972457D+00 -0.128724D+01  0.565542D+00  0.160189D+01
      3  -0.324361D-01 -0.996894D+00  0.371765D+00  0.102165D+01  0.155177D+00
               181           182           183           184           185 
      1  -0.267994D+00  0.474806D+01 -0.450137D+01 -0.327359D+01  0.311847D+00
      2   0.794502D+00  0.198816D+01  0.621414D+01 -0.689941D+01  0.258149D+01
      3   0.170264D+02  0.811723D+01 -0.258269D+01 -0.185958D+02  0.846807D+01
               186           187           188           189           190 
      1  -0.119961D+01 -0.123293D+02  0.659209D+01  0.227080D+01  0.286746D+01
      2   0.286494D+01 -0.355110D+01  0.115015D+02 -0.345826D+01 -0.120230D+02
      3   0.762452D+00  0.198080D+01 -0.398147D+01  0.817061D+00  0.111320D+02
               191           192           193           194           195 
      1   0.776362D+01  0.168027D+00  0.749680D+01  0.681637D+01  0.146438D+01
      2  -0.847913D+00 -0.110744D+01  0.307735D+01 -0.243903D+01 -0.642671D+00
      3   0.232776D+02 -0.369354D+01  0.509740D+02  0.103108D+02 -0.663793D+01
               196           197           198           199           200 
      1  -0.138735D+01  0.132602D+02 -0.184327D+01 -0.591267D+00 -0.697694D+01
      2   0.241819D+01 -0.441250D+01 -0.183724D+01  0.161829D+02 -0.924350D+00
      3  -0.717541D+01 -0.549231D+01 -0.657015D+00  0.102425D+02 -0.399822D+02
               201           202           203           204           205 
      1   0.319879D+00 -0.102300D+01 -0.375183D+01 -0.209137D+01  0.765190D+01
      2   0.227602D+01  0.349069D+01 -0.180052D+01 -0.311108D+01 -0.206891D+02
      3   0.392038D+01 -0.334830D+01 -0.142136D+02  0.341439D+01  0.105559D+01
               206           207           208           209           210 
      1   0.294688D+01 -0.133559D+01 -0.265769D+01 -0.711078D+01 -0.711315D+00
      2  -0.173551D+02  0.444204D+01  0.150029D+01 -0.175385D+01  0.142525D+02
      3   0.881336D+01  0.746750D+01 -0.781773D+01 -0.439549D+02  0.424494D+01
               211           212           213           214           215 
      1  -0.949352D-01  0.316838D+00 -0.473480D+01 -0.209560D+01 -0.138066D+01
      2  -0.128590D+01  0.343574D+00  0.518959D+01 -0.578308D+01 -0.157807D+01
      3  -0.369606D+01  0.115591D+02 -0.714294D+00  0.271498D+01  0.490146D+01
               216           217           218           219           220 
      1   0.125491D+01 -0.817086D+00  0.287330D+01  0.955505D+00  0.478957D+01
      2  -0.110184D+01 -0.660129D+01 -0.403522D+01 -0.776373D+00 -0.369026D+01
      3   0.287488D+01 -0.316758D+02  0.130759D+02  0.616830D+01  0.328509D+02
               221           222           223           224           225 
      1   0.381988D+01  0.405531D+01  0.126946D+02  0.676475D+01 -0.338126D+00
      2  -0.352186D+01 -0.375755D+02 -0.200403D+02 -0.294566D+02  0.137113D+02
      3   0.252798D+02  0.812420D+00  0.499037D+01  0.143824D+01  0.296443D+02
               226           227           228           229           230 
      1  -0.284354D+00  0.469041D+00  0.116430D+01 -0.164876D+00  0.381078D+00
      2  -0.581349D+00  0.140593D+00  0.283914D+00  0.562266D+00 -0.205331D+01
      3  -0.706773D+01  0.566516D+01  0.161666D+00  0.508193D+01 -0.202831D+02
               231           232           233           234           235 
      1  -0.437440D+01 -0.335595D+00  0.256821D+01  0.255432D+00  0.167049D+01
      2   0.654996D+00  0.244331D+00 -0.216242D+00 -0.257995D-01 -0.186347D+01
      3   0.176446D+01  0.376030D+00  0.119746D+01  0.367815D+00  0.504331D+01
               236           237           238           239           240 
      1   0.151947D+00 -0.189470D+01  0.607765D+00 -0.126655D+00 -0.260822D+01
      2  -0.136592D+01  0.200947D+01 -0.212252D+01 -0.230816D+01  0.349133D+01
      3  -0.484302D+01 -0.227913D+00 -0.558555D+01 -0.116734D+02  0.157449D+01
               241           242           243           244           245 
      1   0.224106D+01  0.860079D+00  0.559298D-02 -0.216701D+00  0.592970D+00
      2  -0.242748D+01  0.513628D+00 -0.329111D+00 -0.112843D-01  0.632690D+00
      3  -0.249103D+00  0.150453D+01 -0.154024D+01  0.402515D+01 -0.352755D+01
               246           247           248           249           250 
      1   0.117120D+01  0.377374D+00 -0.493187D+00 -0.380577D+01 -0.241213D+00
      2   0.118093D+01  0.256694D+00  0.551574D+00 -0.321912D+01 -0.172104D+01
      3  -0.272233D+00 -0.290875D+01  0.202054D+02 -0.125081D+01  0.971661D-02
               251           252           253           254           255 
      1   0.158160D+01  0.833651D-01 -0.100415D+01  0.251510D+00  0.102155D+01
      2   0.109501D+00  0.273350D+00 -0.612091D+01  0.910713D+00 -0.262945D+01
      3  -0.191385D+01  0.722694D-01 -0.947806D+00  0.120017D+01 -0.112322D+01
               256           257           258           259           260 
      1  -0.176551D+00 -0.115768D+01 -0.180601D+01 -0.215326D+01  0.211610D+01
      2  -0.553251D+01 -0.110467D+02  0.174865D+02  0.150254D+02  0.175390D+02
      3  -0.971981D+01 -0.175622D+02  0.126895D+02  0.702383D+01  0.142518D+02
               261           262           263           264           265 
      1   0.352045D+01 -0.240765D+00 -0.355093D+00 -0.171487D+00 -0.289597D+01
      2  -0.368431D+02  0.934631D+01  0.309294D+01  0.137931D+01  0.835763D+01
      3  -0.189448D+02 -0.505119D+01 -0.301173D+01 -0.247074D+01 -0.158952D+02
               266           267           268           269           270 
      1  -0.296247D+01 -0.414990D+01 -0.416823D+01 -0.116567D+01 -0.503941D+01
      2   0.122100D+02  0.158826D+02  0.134419D+02  0.162703D+02  0.208822D+02
      3  -0.259756D+02 -0.122026D+02 -0.103603D+02 -0.170592D+02 -0.159238D+02
               271           272           273           274           275 
      1   0.173953D+01 -0.108571D+01  0.110462D+00 -0.137867D+01  0.793260D+00
      2  -0.124218D-01  0.513646D+00  0.838898D+01  0.101710D+01  0.331141D+00
      3   0.231153D+02 -0.127052D+02 -0.223817D+01 -0.155024D+02  0.118458D+02
               276           277           278           279 
      1  -0.886432D+00 -0.136844D+01  0.258749D+00  0.169856D+00
      2  -0.279039D+01  0.807769D+01  0.396238D+00 -0.224766D+01
      3   0.829678D+00 -0.193196D+01  0.150654D+00 -0.143054D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.887311D+02 -0.419785D+02  0.116725D+02  0.879211D+02 -0.436646D+01
      2   0.471846D+02  0.230781D+02 -0.747029D+01 -0.442594D+02  0.723361D+01
      3   0.415466D+02  0.189004D+02 -0.420223D+01 -0.436616D+02 -0.286715D+01
      4  -0.401410D+02 -0.371376D+00  0.270873D+01 -0.419322D+01  0.593537D+01
      5   0.161138D+02  0.229701D+01 -0.174962D+01  0.723285D+00  0.189118D+01
      6   0.165900D+01 -0.357430D+01  0.123031D+01  0.308022D+01  0.208661D+01
                 6             7             8             9            10 
      1  -0.962834D+01  0.295082D+01  0.426771D+01 -0.105397D+02  0.859740D+02
      2   0.374530D+01 -0.338584D+01 -0.350699D+01 -0.132608D+01 -0.370716D+02
      3   0.588305D+01  0.435019D+00 -0.760717D+00  0.118658D+02 -0.489024D+02
      4   0.893280D-01  0.472179D+01  0.654850D-01 -0.297711D+00  0.175740D+02
      5  -0.605986D+00 -0.178988D+01  0.137335D+01  0.315662D+01 -0.145584D+02
      6  -0.814733D+00 -0.284535D+01  0.228570D+01  0.216809D+01 -0.149880D+00
                11            12            13            14            15 
      1   0.147784D+01 -0.101777D+02 -0.985738D+02 -0.251300D+02  0.108635D+02
      2  -0.522185D+00  0.326200D+01  0.443280D+02  0.213256D+02 -0.712855D+01
      3  -0.955651D+00  0.691565D+01  0.542459D+02  0.380440D+01 -0.373498D+01
      4  -0.118133D+01 -0.236065D+01 -0.179921D+02 -0.150773D+02  0.245622D+01
      5  -0.115766D+01 -0.520776D+01  0.907604D+00 -0.279123D+00 -0.254901D-01
      6   0.393261D+00 -0.546411D+00 -0.192375D+00 -0.493215D+01 -0.839422D-01
                16            17            18            19            20 
      1  -0.104065D+01  0.132912D+01 -0.884468D+01  0.583277D+02  0.493967D+02
      2  -0.157081D+01 -0.126761D+01 -0.148832D+01 -0.304256D+02 -0.331055D+02
      3   0.261146D+01 -0.615086D-01  0.103330D+02 -0.279021D+02 -0.162911D+02
      4  -0.143161D+00  0.227226D+01 -0.181734D+01  0.398977D+02 -0.315814D+01
      5   0.930466D+00 -0.169094D+01  0.349585D+01 -0.153783D+02 -0.458819D+01
      6  -0.168624D+01  0.374302D+01  0.426378D+00 -0.163609D+01  0.960298D+01
                21            22            23            24            25 
      1  -0.165233D+02 -0.102993D+02  0.245658D+02 -0.904936D+01 -0.853730D+01
      2   0.928181D+01  0.180164D+02 -0.283397D+02  0.541006D+01 -0.560027D+00
      3   0.724149D+01 -0.771713D+01  0.377389D+01  0.363930D+01  0.909733D+01
      4  -0.376232D+01  0.188125D+02  0.133850D+01 -0.172446D+01 -0.128454D+02
      5  -0.251444D+01 -0.756912D+01 -0.199518D+01 -0.621270D+01  0.913685D+01
      6  -0.133082D+01 -0.368329D+01  0.863737D+01  0.452383D+01  0.546837D+00
                26            27            28            29            30 
      1  -0.181945D+02 -0.601322D+01  0.192173D+02 -0.197422D+01  0.119303D+02
      2   0.105157D+02 -0.472359D+01 -0.282372D+02  0.420703D+01 -0.596586D+01
      3   0.767879D+01  0.107368D+02  0.901986D+01 -0.223281D+01 -0.596443D+01
      4  -0.178141D+01 -0.337349D+01 -0.130999D+02  0.913384D+01 -0.138576D+01
      5  -0.850205D+01  0.448864D+01  0.159234D+02 -0.153983D+01  0.840912D+01
      6   0.896114D+01  0.384336D+01  0.446354D+01 -0.487729D+01  0.145153D+01
                31            32            33            34            35 
      1  -0.346627D+02 -0.659662D+02  0.961062D+01  0.179031D+02  0.111131D+02
      2   0.271063D+02  0.554792D+02 -0.106151D+02 -0.205896D+01 -0.826889D+01
      3   0.755638D+01  0.104870D+02  0.100450D+01 -0.158442D+02 -0.284426D+01
      4  -0.389803D+02  0.112713D+01 -0.117076D+01  0.965936D+01 -0.235496D+01
      5   0.108833D+02  0.202349D+01  0.233649D+00  0.256722D+02  0.426815D+01
      6   0.889892D+00 -0.159436D+02 -0.480084D+00 -0.813506D+00  0.556683D+01
                36            37            38            39            40 
      1  -0.752870D+01 -0.980766D+01 -0.658008D+02  0.978627D+01  0.269652D+02
      2  -0.723701D+01  0.465322D+01  0.510102D+02 -0.422856D+01 -0.288587D+02
      3   0.147657D+02  0.515444D+01  0.147906D+02 -0.555771D+01  0.189349D+01
      4  -0.157589D+01 -0.764169D+01 -0.128219D+02  0.514901D+01  0.115354D+02
      5  -0.201626D+01 -0.290004D+01  0.939706D+01  0.362270D+01  0.294342D+01
      6   0.843376D+00  0.480768D+01 -0.953682D+01  0.850065D+01  0.546266D+01
                41            42            43            44            45 
      1   0.398759D+02 -0.452075D+01  0.550941D+01  0.829565D+01 -0.163106D+02
      2  -0.356223D+02  0.598863D+01  0.768007D+01 -0.691175D+00  0.472280D+00
      3  -0.425357D+01 -0.146788D+01 -0.131895D+02 -0.760448D+01  0.158384D+02
      4  -0.139922D+02  0.354261D+01  0.100606D+02  0.520772D+01  0.870050D+01
      5   0.634623D+00  0.511496D+01  0.160673D+02  0.533218D+01 -0.638977D+01
      6   0.123004D+02 -0.800482D+00  0.189782D+02  0.103948D+02 -0.812497D+01
                46            47            48            49            50 
      1   0.147083D+02  0.453646D+02 -0.111025D+02 -0.202616D+02 -0.172656D+01
      2  -0.113681D+02 -0.329991D+02  0.469882D+01  0.162789D+02 -0.984339D+01
      3  -0.334027D+01 -0.123655D+02  0.640371D+01  0.398273D+01  0.115700D+02
      4  -0.367461D+01 -0.449335D+01  0.430704D+00  0.273026D+01  0.137358D+02
      5   0.122040D+02 -0.155139D+01 -0.793143D+00  0.275349D+01 -0.136132D+01
      6  -0.430267D+00  0.126165D+02 -0.844914D+01 -0.341902D+01  0.427107D+01
                51            52            53            54            55 
      1   0.406811D-01 -0.268016D+01 -0.614681D+01 -0.233214D+02  0.197954D+02
      2   0.342369D+01  0.642965D-01  0.143431D+02  0.121131D+02 -0.171172D+02
      3  -0.346437D+01  0.261587D+01 -0.819632D+01  0.112083D+02 -0.267820D+01
      4  -0.212516D+01 -0.338119D+00  0.182860D+01 -0.465578D+01  0.293370D+02
      5  -0.345922D+00  0.260140D+01 -0.540606D+00  0.453574D+01 -0.123970D+02
      6   0.690796D+01 -0.462661D+01  0.227012D+02 -0.477033D+01 -0.223175D+01
                56            57            58            59            60 
      1   0.488073D+02 -0.987126D+01  0.264246D+01  0.230958D+02 -0.428906D+01
      2  -0.301236D+02  0.483100D+01  0.312712D+01 -0.231313D+02  0.371108D+01
      3  -0.186837D+02  0.504025D+01 -0.576958D+01  0.354396D-01  0.577978D+00
      4  -0.346022D+02  0.328549D+00  0.301956D+02  0.175233D+02 -0.191794D+01
      5  -0.158830D+00 -0.731453D+01 -0.502101D+01 -0.685190D+00  0.467967D+01
      6   0.414964D+01 -0.613732D+01 -0.194944D+01  0.482168D+01  0.591590D+01
                61            62            63            64            65 
      1  -0.415359D+01 -0.902550D+01 -0.199244D+02  0.174910D+01 -0.229749D+00
      2   0.283364D+01  0.984918D+01  0.842699D+01  0.143256D+01 -0.117554D+01
      3   0.131995D+01 -0.823676D+00  0.114974D+02 -0.318166D+01  0.140528D+01
      4  -0.454045D+01  0.786274D+01  0.117906D+02 -0.729554D+01  0.915613D+01
      5   0.252499D+01  0.141970D+02  0.108699D+01 -0.289995D+01  0.153269D+01
      6   0.322225D+00  0.217048D+02 -0.218753D+00  0.190129D+01 -0.156624D+01
                66            67            68            69            70 
      1  -0.872345D+00  0.417809D+01 -0.220122D+02  0.212583D-01 -0.304661D+01
      2   0.438928D+00 -0.783640D+01  0.279097D+02 -0.843748D-01  0.235650D+01
      3   0.433417D+00  0.365831D+01 -0.589748D+01  0.631165D-01  0.690118D+00
      4   0.617289D+00  0.123739D+02 -0.179018D+02 -0.290319D+00  0.399916D+00
      5   0.816229D+00  0.149400D+01 -0.352939D+00 -0.197105D+01  0.234761D+00
      6  -0.546913D+00 -0.234881D+01  0.411786D+01  0.452812D+01 -0.193053D+01
                71            72            73            74            75 
      1   0.263462D+01 -0.263731D+01  0.467393D+01 -0.355790D+01  0.126371D+01
      2  -0.232720D+01  0.306495D+01  0.509782D+01  0.108893D+02 -0.123630D+01
      3  -0.307420D+00 -0.427637D+00 -0.977175D+01 -0.733136D+01 -0.274080D-01
      4   0.875036D+00 -0.676664D+00  0.285237D+02  0.238424D+02 -0.549440D+01
      5   0.350226D+00 -0.152227D+00 -0.906713D+01 -0.565155D+01  0.525903D+01
      6   0.189769D+01 -0.550684D+00 -0.774813D+01 -0.704481D+01  0.456433D+01
                76            77            78            79            80 
      1  -0.799091D+01 -0.155662D+02  0.427685D+01 -0.592195D+00  0.233033D+01
      2   0.169522D+02  0.260383D+02 -0.405303D+01 -0.254051D+01 -0.293171D+01
      3  -0.896127D+01 -0.104721D+02 -0.223826D+00  0.313270D+01  0.601384D+00
      4   0.274865D+02  0.314228D+02 -0.611935D+01 -0.645472D+01 -0.544988D+01
      5  -0.612360D+01 -0.642856D+01  0.466464D+01  0.161337D+01  0.354982D+01
      6  -0.901916D+01 -0.110394D+02  0.725905D+01  0.658257D+00  0.456113D+01
                81            82            83            84            85 
      1  -0.806141D+00 -0.583805D+01  0.947988D+01 -0.322266D+00  0.597927D+01
      2   0.156361D+01  0.831398D+01 -0.135529D+02  0.454296D+00 -0.746525D+01
      3  -0.757470D+00 -0.247593D+01  0.407298D+01 -0.132029D+00  0.148598D+01
      4   0.376207D+01 -0.513548D+01  0.135980D+02 -0.127111D+01  0.736194D+01
      5  -0.184832D+01  0.162675D+01 -0.263664D+01  0.204341D+01 -0.145729D+01
      6  -0.231987D+01 -0.177275D+01  0.203791D+01 -0.191709D+01  0.200842D+01
                86            87            88            89            90 
      1  -0.557396D+02  0.637026D+01 -0.201182D+00  0.460778D+01 -0.255969D+01
      2   0.740636D+02 -0.617526D+01  0.662978D+00 -0.546867D+01  0.286011D+01
      3  -0.183240D+02 -0.194997D+00 -0.461796D+00  0.860890D+00 -0.300421D+00
      4  -0.154903D+02  0.174406D+01 -0.100701D+01 -0.266640D+00 -0.153465D+01
      5   0.487791D+01 -0.165988D+01  0.106916D+01 -0.179135D+01  0.169331D+00
      6  -0.144084D+02  0.907479D+01  0.544752D+00  0.508932D+01 -0.173641D+01
                91            92            93            94            95 
      1  -0.447841D+02 -0.191553D+02 -0.122447D+02 -0.897482D+01  0.326222D+00
      2   0.375924D+02  0.160078D+02  0.619078D+01  0.102172D+02  0.248718D+00
      3   0.719173D+01  0.314747D+01  0.605394D+01 -0.124239D+01 -0.574941D+00
      4  -0.117411D+02 -0.108189D+02  0.233116D+01 -0.213877D+02  0.107282D+02
      5  -0.173823D+02  0.193522D+01 -0.242628D+02  0.856740D+01  0.270894D+02
      6   0.410847D+00  0.489300D+01 -0.473014D-01  0.733359D+01 -0.341238D+01
                96            97            98            99           100 
      1   0.100350D+02 -0.373685D+02 -0.151535D+01 -0.205326D+02 -0.599570D+02
      2  -0.110385D+02  0.271346D+02 -0.410914D+01  0.138513D+02  0.322958D+02
      3   0.100353D+01  0.102339D+02  0.562449D+01  0.668132D+01  0.276612D+02
      4   0.272029D+02  0.230158D+01  0.219573D+02 -0.100089D+02  0.298059D+02
      5  -0.308016D+01 -0.473279D+02 -0.124943D+02  0.125692D+01  0.303843D+02
      6  -0.982985D+01 -0.648510D+01 -0.278560D+01  0.704418D+01 -0.660349D+01
               101           102           103           104           105 
      1   0.277408D+02  0.283363D+02  0.592082D+01  0.523574D+01 -0.559813D+01
      2  -0.195298D+02 -0.635099D+01 -0.793747D+01 -0.498943D+01  0.195283D+02
      3  -0.821108D+01 -0.219853D+02  0.201665D+01 -0.246309D+00 -0.139302D+02
      4   0.100443D+02 -0.613593D+00  0.171274D+02 -0.144797D+02 -0.261925D+02
      5  -0.159266D+00  0.208191D+02  0.206595D+01 -0.273085D+02  0.441398D+01
      6  -0.416979D+01 -0.127888D+02 -0.751359D+01  0.135640D+02 -0.671439D+00
               106           107           108           109           110 
      1   0.196617D+02  0.173832D+01  0.383255D+02 -0.105293D+03 -0.150320D+02
      2  -0.837287D+01  0.148604D+02 -0.152893D+02  0.425375D+02  0.167358D+01
      3  -0.112888D+02 -0.165987D+02 -0.230362D+02  0.627550D+02  0.133584D+02
      4   0.281613D+01 -0.175019D+02  0.100433D+02 -0.276804D+02 -0.240498D+02
      5   0.139106D+02  0.158607D+02  0.140721D+02 -0.216042D+02 -0.831351D+01
      6  -0.738407D+01 -0.726276D+01 -0.158312D+02 -0.241704D+01 -0.225429D+01
               111           112           113           114           115 
      1  -0.140965D+02 -0.129766D+02 -0.855898D+01 -0.604347D+01  0.528922D+02
      2   0.415365D+01  0.206096D+01  0.683904D+01  0.179640D+01 -0.413512D+02
      3   0.994283D+01  0.109156D+02  0.171994D+01  0.424706D+01 -0.115410D+02
      4  -0.669825D+01  0.111968D+02 -0.939825D+01 -0.277970D+01 -0.342642D+01
      5  -0.120417D+02 -0.652735D+01 -0.369959D+01 -0.143849D+01  0.450454D+02
      6  -0.220568D+01 -0.505737D+01  0.665380D-01  0.339184D+01  0.889578D+01
               116           117           118           119           120 
      1   0.194048D+01  0.326343D+02  0.178074D+02  0.957002D+01 -0.659370D+01
      2  -0.313166D+01 -0.117643D+02 -0.133244D+02 -0.705025D+01  0.589365D+01
      3   0.119118D+01 -0.208700D+02 -0.448303D+01 -0.251976D+01  0.700057D+00
      4  -0.242553D+01  0.358194D+01  0.161563D+02  0.124537D+02 -0.588510D+01
      5   0.511577D+01  0.380530D+01 -0.172478D+02 -0.693289D+01  0.177119D+02
      6  -0.249891D+01 -0.650924D+00 -0.584658D+01 -0.326361D+01  0.330108D+01
               121           122           123           124           125 
      1   0.196510D+02  0.238842D+01 -0.164796D+01 -0.800559D+01 -0.737172D+00
      2  -0.130508D+02 -0.159566D+01  0.381305D+01  0.887022D+01  0.479730D+01
      3  -0.660023D+01 -0.792765D+00 -0.216509D+01 -0.864629D+00 -0.406013D+01
      4   0.152906D+02  0.195870D+02 -0.160700D+02 -0.775616D+01 -0.160267D+02
      5  -0.135273D+02 -0.166683D+02  0.147023D+02  0.254144D+02  0.134804D+02
      6  -0.522773D+01 -0.889598D+01  0.912732D+01  0.538360D+01  0.783342D+01
               126           127           128           129           130 
      1   0.214508D+01 -0.597512D+01 -0.103172D+02 -0.213217D+02 -0.613134D+00
      2  -0.108885D+02  0.154533D+00  0.639343D+01  0.438665D+01  0.170724D+00
      3   0.874346D+01  0.582058D+01  0.392375D+01  0.169351D+02  0.442410D+00
      4   0.132354D+02  0.375183D+00 -0.539028D+01 -0.133604D+01 -0.793453D-01
      5  -0.282246D+02 -0.468673D+01 -0.400233D+01 -0.959591D+01  0.900214D+00
      6  -0.833323D+01  0.385641D+01  0.612623D+01  0.111431D+02  0.137426D+01
               131           132           133           134           135 
      1  -0.105487D+02 -0.864035D+01 -0.114748D+02 -0.126726D+02 -0.395656D+02
      2   0.606942D+01  0.359373D+01  0.397314D+01  0.335557D+01 -0.172201D+01
      3   0.447930D+01  0.504662D+01  0.750170D+01  0.931703D+01  0.412876D+02
      4  -0.441345D+01 -0.433037D+01  0.710728D+01 -0.107676D+02 -0.120613D+02
      5  -0.409510D+01 -0.662593D+01  0.521491D+01 -0.158773D+02 -0.411508D+02
      6   0.713698D+01  0.117949D+02  0.329223D+00  0.154942D+02  0.296940D+02
               136           137           138           139           140 
      1   0.407789D+00 -0.948554D+01  0.117733D+01 -0.675865D+01 -0.169806D+02
      2   0.246268D+01  0.893808D+01 -0.307831D+01  0.216168D+01  0.307733D+02
      3  -0.287047D+01  0.547459D+00  0.190098D+01  0.459697D+01 -0.137927D+02
      4  -0.321406D+01 -0.316583D+01 -0.744845D+00  0.786735D+01 -0.277900D+02
      5   0.192269D+01  0.118595D+01 -0.446619D+01  0.159616D+01  0.117139D+02
      6  -0.143592D+01  0.588621D+00  0.330552D+01 -0.973306D-03 -0.342868D+01
               141           142           143           144           145 
      1   0.576349D+01  0.470019D+01  0.677659D+01 -0.102026D+02  0.958300D+02
      2  -0.126633D+02 -0.145756D+01 -0.161962D+02  0.108035D+02 -0.484469D+02
      3   0.689985D+01 -0.324263D+01  0.941961D+01 -0.600976D+00 -0.473832D+02
      4   0.963004D+01 -0.817695D+01  0.204133D+02 -0.857111D+01 -0.527749D+02
      5  -0.110449D+02 -0.168917D+01 -0.104633D+02  0.128975D+02 -0.393795D+02
      6   0.732582D+01  0.100799D+01  0.602723D+01 -0.678813D+01  0.108560D+02
               146           147           148           149           150 
      1  -0.190762D+02 -0.145103D+02 -0.929451D+01  0.872205D+01  0.121901D+01
      2   0.578578D+01  0.981572D+01  0.853388D+00 -0.172776D+01 -0.122880D+01
      3   0.132904D+02  0.469460D+01  0.844112D+01 -0.699429D+01  0.978881D-02
      4   0.246627D+02  0.107534D+02  0.171552D+02 -0.866744D+01 -0.782869D+00
      5   0.106727D+02  0.190429D+02  0.284037D+01 -0.225950D+01 -0.133413D+01
      6  -0.581708D+01 -0.584777D+01 -0.399061D+01  0.100653D+01  0.221109D+01
               151           152           153           154           155 
      1  -0.965224D+01  0.148190D+01  0.588583D+01  0.209514D+03  0.269432D+02
      2   0.785915D+01 -0.291236D+01 -0.541335D+01 -0.983900D+02 -0.953982D+01
      3   0.179309D+01  0.143046D+01 -0.472484D+00 -0.111124D+03 -0.174034D+02
      4   0.463647D+01 -0.163238D+00 -0.622569D+01  0.378600D+02  0.439965D+02
      5   0.169831D+02 -0.547413D+01 -0.101020D+02  0.424540D+02  0.914473D+01
      6  -0.459922D+01  0.315530D+01  0.383053D+01  0.706013D+00  0.461118D+01
               156           157           158           159           160 
      1   0.139977D+02  0.233737D+02  0.348816D+02  0.104568D+01  0.124437D+02
      2  -0.123416D+02 -0.629742D+01 -0.117059D+02 -0.869084D+00 -0.113297D+02
      3  -0.165610D+01 -0.170763D+02 -0.231757D+02 -0.176591D+00 -0.111394D+01
      4   0.706608D+01  0.509692D+02  0.258978D+02  0.549222D+01  0.514229D+01
      5   0.427476D+02  0.542499D+01  0.928236D+01  0.622311D+01  0.397077D+02
      6   0.136612D+01  0.994679D+01  0.365505D+01  0.575896D+01  0.214432D+01
               161           162           163           164           165 
      1   0.114655D+01  0.220609D+02  0.717259D+02  0.687846D+01  0.213158D+02
      2  -0.111306D+01 -0.154750D+02 -0.487928D+02 -0.277697D+01 -0.135332D+02
      3  -0.334898D-01 -0.658595D+01 -0.229331D+02 -0.410148D+01 -0.778254D+01
      4   0.367035D+01  0.595205D+01  0.865659D+01  0.634497D+01 -0.118300D+01
      5   0.659216D+01  0.123635D+02  0.434639D+02 -0.613178D+00  0.219087D+02
      6   0.494783D+01  0.184026D+01  0.398931D+01  0.678247D+00  0.619327D+00
               166           167           168           169           170 
      1   0.129391D+02 -0.109253D+02 -0.528939D-01 -0.114609D+02 -0.304775D+01
      2  -0.781502D+01  0.331994D+01  0.329131D+00  0.369875D+01  0.201389D+01
      3  -0.512404D+01  0.760533D+01 -0.276237D+00  0.776211D+01  0.103386D+01
      4   0.259616D+01 -0.214417D+01  0.939145D+01 -0.303859D+01  0.472628D+01
      5   0.506592D+01  0.857802D+01 -0.394069D+00  0.993707D+01 -0.577473D+00
      6   0.261726D+01  0.419289D+00  0.119569D+02 -0.213565D+01  0.101394D+02
               171           172           173           174           175 
      1  -0.369187D+02 -0.584774D+02 -0.220175D+01  0.224396D+01 -0.866286D+01
      2  -0.951863D+01  0.375533D+02  0.127801D+01  0.878672D+01  0.652240D+01
      3   0.464374D+02  0.209242D+02  0.923748D+00 -0.110307D+02  0.214047D+01
      4  -0.182110D+01 -0.440443D+01 -0.387488D+01  0.605204D+00  0.269097D+00
      5   0.382797D+02 -0.318446D+02  0.990416D+00 -0.198431D+02 -0.340823D+01
      6  -0.109388D+01 -0.308737D+01 -0.307883D+01  0.138795D+00 -0.847293D+00
               176           177           178           179           180 
      1  -0.393681D+01  0.816699D+00 -0.182654D+02 -0.995206D+00 -0.107678D+02
      2   0.209732D+01  0.122549D+01  0.172905D+02  0.104846D+01  0.658520D+01
      3   0.183949D+01 -0.204219D+01  0.974949D+00 -0.532510D-01  0.418258D+01
      4  -0.434185D+00  0.279279D+01 -0.185504D+01 -0.862600D+00 -0.149823D+00
      5   0.261095D+01 -0.283785D+01 -0.175625D+02  0.125696D+00 -0.616274D+01
      6  -0.114269D+01  0.286631D+01 -0.991912D+00  0.549079D+00 -0.110856D+01
               181           182           183           184           185 
      1  -0.685090D+01 -0.511108D+02  0.756996D+01  0.953836D+02  0.254580D+02
      2   0.679166D+01  0.359260D+02 -0.377753D+01 -0.646563D+02 -0.210512D+02
      3   0.592373D-01  0.151849D+02 -0.379243D+01 -0.307273D+02 -0.440681D+01
      4  -0.200074D+02  0.419820D+02  0.302590D+01  0.226993D+02 -0.305984D+02
      5   0.118557D+02  0.367343D+01  0.117806D+02 -0.541450D+01  0.657631D+01
      6   0.517399D+01  0.103843D+01  0.736082D+01  0.418805D+01  0.444687D+01
               186           187           188           189           190 
      1  -0.977958D+01 -0.401867D+01  0.703619D+01  0.199395D+01  0.122802D+03
      2   0.770193D+01  0.742441D+01 -0.202571D+01 -0.856738D+01 -0.661949D+02
      3   0.207764D+01 -0.340575D+01 -0.501047D+01  0.657343D+01 -0.566071D+02
      4   0.365912D+01  0.751028D+01  0.324649D+01  0.180367D+02  0.115402D+02
      5   0.775981D+01  0.287068D+02  0.180396D+02 -0.739110D+01 -0.123039D+01
      6   0.267053D+01  0.168381D+02  0.889404D+01 -0.330200D+01  0.229639D+01
               191           192           193           194           195 
      1   0.278392D+02 -0.114936D+02 -0.302244D+02 -0.207347D+02  0.796216D+01
      2  -0.172514D+02  0.346045D+01  0.281134D+02  0.237318D+02 -0.822043D+01
      3  -0.105878D+02  0.803319D+01  0.211108D+01 -0.299715D+01  0.258267D+00
      4   0.288899D+02 -0.452624D+01 -0.193964D+02  0.564688D+02 -0.312430D+01
      5  -0.589438D+01 -0.475735D+00  0.817283D+01 -0.731337D+01 -0.639355D+00
      6   0.285199D+01 -0.247399D+01  0.122614D+01 -0.292956D+01 -0.237583D+01
               196           197           198           199           200 
      1   0.135713D+01  0.256077D+01  0.265758D+02 -0.112280D+03 -0.131150D+02
      2  -0.143217D+01 -0.276721D+01 -0.236511D+02  0.496698D+02  0.663093D+01
      3   0.750383D-01  0.206448D+00 -0.292467D+01  0.626103D+02  0.648402D+01
      4   0.591238D+01 -0.855312D+01  0.299757D+00 -0.184411D+02 -0.312932D+02
      5   0.526668D+02  0.605861D+01 -0.591402D+01  0.143668D+02  0.234399D+01
      6  -0.202007D+01  0.268347D+01  0.301690D+01 -0.244071D+01  0.176077D+01
               201           202           203           204           205 
      1   0.982552D+01 -0.821847D+02 -0.707406D+01  0.571096D+01  0.204669D+02
      2  -0.458842D+01  0.518420D+02 -0.913947D+01 -0.197993D+01 -0.119144D+02
      3  -0.523710D+01  0.303427D+02  0.162135D+02 -0.373103D+01 -0.855249D+01
      4   0.195193D+01 -0.562129D+01 -0.180576D+02 -0.899627D+00 -0.332559D+00
      5   0.385228D+01  0.655419D+01  0.683658D+00 -0.776690D+01  0.305262D+01
      6   0.119092D+00 -0.391864D+01  0.383485D+01  0.469733D+01 -0.418919D+01
               206           207           208           209           210 
      1  -0.374045D+01 -0.186237D+02  0.857737D+01 -0.294994D+02  0.639191D+01
      2   0.611293D+01  0.413202D+01 -0.624437D+01  0.166725D+02  0.268490D+00
      3  -0.237249D+01  0.144917D+02 -0.233299D+01  0.128269D+02 -0.666040D+01
      4   0.191260D+01 -0.251037D+02 -0.268569D+02  0.758183D+01  0.475990D+01
      5  -0.268640D+02  0.931400D+01  0.526574D+00  0.464107D+01  0.273763D+02
      6   0.163703D+02 -0.546199D+00  0.957636D+00 -0.265366D+01  0.321019D+01
               211           212           213           214           215 
      1   0.658928D+01  0.156138D+02 -0.403570D-01  0.552739D+00  0.663927D+00
      2  -0.850202D+01 -0.576048D+01  0.250546D+01  0.725129D+00 -0.160401D+00
      3   0.191274D+01 -0.985334D+01 -0.246511D+01 -0.127787D+01 -0.503526D+00
      4   0.427903D+02 -0.168377D+02 -0.142080D+01 -0.169112D+01 -0.557174D-01
      5  -0.143999D+01  0.103848D+01  0.872497D+01  0.920851D+01 -0.698663D+01
      6  -0.117288D+01  0.221610D+01  0.772962D+01 -0.388306D+01  0.441630D+01
               216           217           218           219           220 
      1  -0.103533D+01 -0.479049D+02  0.512968D+02 -0.180029D+01  0.424866D+02
      2  -0.758694D-01  0.271160D+02 -0.275716D+02 -0.576534D+00 -0.201511D+02
      3   0.111120D+01  0.207889D+02 -0.237252D+02  0.237683D+01 -0.223355D+02
      4  -0.789792D+01  0.507064D+02 -0.118861D+01 -0.134326D+02 -0.418096D+02
      5  -0.356689D+01 -0.144459D+01 -0.142550D+02 -0.754539D+01 -0.140628D+02
      6  -0.860015D+00 -0.597543D+01 -0.903528D+00 -0.120005D+01 -0.911817D+00
               221           222           223           224           225 
      1  -0.155111D+02 -0.190640D+02 -0.592438D+01 -0.162713D+02 -0.316811D+00
      2   0.736528D+01  0.840829D+00 -0.252840D+01  0.200247D+01  0.289015D+01
      3   0.814577D+01  0.182232D+02  0.845278D+01  0.142688D+02 -0.257333D+01
      4  -0.250658D+02 -0.881549D+01 -0.131742D+02 -0.102100D+02 -0.489219D+02
      5  -0.100331D+02 -0.719244D+02 -0.298945D+02 -0.508745D+02  0.226045D+02
      6  -0.126690D+01 -0.153292D+02 -0.120496D+02 -0.120695D+02  0.792509D+01
               226           227           228           229           230 
      1  -0.519908D+01  0.145462D+02 -0.577935D+00  0.460846D+01 -0.506803D+02
      2   0.636766D+01 -0.142606D+02  0.609213D+00 -0.395055D+01  0.630995D+02
      3  -0.116859D+01 -0.285582D+00 -0.312779D-01 -0.657912D+00 -0.124191D+02
      4   0.168907D+01  0.477130D+01 -0.837339D+00  0.298052D+01  0.199133D+02
      5   0.187490D+00 -0.115723D+01  0.111685D+01 -0.171903D+00  0.111471D+01
      6  -0.253474D+00 -0.213493D+00 -0.140470D+01  0.337648D+00 -0.308738D+01
               231           232           233           234           235 
      1   0.400881D+01  0.235314D+00  0.317116D+01 -0.224998D+01  0.409238D+02
      2  -0.404362D+01 -0.148769D+00 -0.414521D+01  0.263474D+01 -0.151738D+02
      3   0.348143D-01 -0.865450D-01  0.974042D+00 -0.384760D+00 -0.257500D+02
      4  -0.136136D+01 -0.570177D+00 -0.252164D+01 -0.118993D+01  0.338892D+02
      5   0.176258D+01  0.146050D+01 -0.751819D+00 -0.576820D-01 -0.811583D+01
      6   0.688183D+01 -0.191120D+00  0.324495D+01 -0.868395D+00 -0.321598D+01
               236           237           238           239           240 
      1   0.136773D+02 -0.551097D+01  0.174672D+02  0.755201D+01 -0.195403D+01
      2  -0.592688D+00  0.218703D+01  0.268949D+01  0.110939D+02 -0.632811D+00
      3  -0.130846D+02  0.332395D+01 -0.201567D+02 -0.186459D+02  0.258685D+01
      4   0.261913D+02 -0.553718D+01  0.393208D+02  0.412425D+02 -0.720227D+01
      5  -0.400415D+01  0.445452D+01 -0.615153D+01 -0.483387D+01  0.588840D+01
      6  -0.248035D+01  0.227607D+01 -0.414382D+01 -0.461775D+01  0.478291D+01
               241           242           243           244           245 
      1  -0.731222D+01 -0.237623D+01 -0.687108D+00  0.680396D+00 -0.636727D+01
      2   0.172724D+01 -0.660912D+00  0.114636D+01  0.507875D+01 -0.246973D+01
      3   0.558498D+01  0.303714D+01 -0.459248D+00 -0.575915D+01  0.883700D+01
      4  -0.830411D+01 -0.695239D+01  0.334572D+01 -0.202431D+02  0.217570D+02
      5  -0.357408D+00  0.218974D+01 -0.126888D+01  0.266516D+01 -0.149279D+01
      6  -0.140022D+00  0.223346D+01 -0.107692D+01 -0.858612D+00  0.155463D+00
               246           247           248           249           250 
      1   0.969795D+00 -0.284980D+01 -0.159024D+02  0.111406D+01  0.672723D+00
      2  -0.448504D+00 -0.941915D+01  0.339113D+02 -0.960542D+00 -0.574701D-02
      3  -0.521291D+00  0.122690D+02 -0.180089D+02 -0.153521D+00 -0.666976D+00
      4  -0.415027D+00  0.294923D+02 -0.551471D+02  0.301529D+01 -0.962280D+00
      5   0.268138D+01 -0.300830D+01  0.630634D+01 -0.615885D+01  0.242751D+01
      6  -0.166355D+01  0.167799D+01 -0.331930D+01  0.625658D+01 -0.259610D+01
               251           252           253           254           255 
      1   0.220244D+01 -0.146327D+01 -0.789156D+00  0.147071D+01 -0.132550D+02
      2  -0.234805D+01  0.263289D+01 -0.899125D+00 -0.684416D+00  0.513534D+01
      3   0.145610D+00 -0.116962D+01  0.168828D+01 -0.786296D+00  0.811965D+01
      4   0.330964D+01 -0.216710D+01 -0.410037D+00 -0.104230D+01 -0.159003D+01
      5  -0.125947D+01  0.466251D+00 -0.106822D+02 -0.955657D+00 -0.722567D+00
      6   0.325913D+01 -0.880237D+00 -0.181293D+01  0.455356D+00 -0.124809D+01
               256           257           258           259           260 
      1   0.124555D+02  0.390975D+01 -0.137061D+01 -0.361737D+02 -0.165315D+01
      2  -0.751382D+01 -0.153498D+01  0.320011D+01  0.254404D+02  0.410647D+01
      3  -0.494168D+01 -0.237477D+01 -0.182950D+01  0.107333D+02 -0.245332D+01
      4   0.232397D+02  0.255564D+02 -0.216978D+02 -0.174760D+02 -0.210090D+02
      5  -0.165312D+02 -0.211633D+02  0.346358D+02  0.437016D+02  0.318901D+02
      6  -0.598271D+01 -0.873217D+01  0.122833D+02  0.997525D+01  0.114482D+02
               261           262           263           264           265 
      1   0.486236D+01  0.189803D+02  0.824700D+01  0.139102D+02  0.312657D+02
      2  -0.171862D+02 -0.819116D+01 -0.303377D+01 -0.677788D+01 -0.119565D+02
      3   0.123238D+02 -0.107892D+02 -0.521323D+01 -0.713232D+01 -0.193091D+02
      4   0.308124D+02  0.102363D+02  0.721561D+01  0.782271D+01  0.396047D+02
      5  -0.698976D+02  0.171354D+02  0.747238D+01  0.367938D+01  0.211776D+02
      6  -0.156346D+02  0.334481D+01  0.969148D+00 -0.169952D+00  0.563297D+01
               266           267           268           269           270 
      1   0.167911D+02  0.103526D+02  0.487363D+02  0.139145D+02  0.115938D+02
      2  -0.110250D+01 -0.117789D+01 -0.237117D+02 -0.393030D+01 -0.774654D+01
      3  -0.156886D+02 -0.917472D+01 -0.250247D+02 -0.998421D+01 -0.384724D+01
      4   0.430960D+02  0.243666D+02  0.283843D+02  0.292128D+02  0.291660D+02
      5   0.257889D+02  0.311941D+02  0.347797D+02  0.310686D+02  0.417200D+02
      6   0.690322D+01  0.831621D+01  0.892441D+01  0.875660D+01  0.839676D+01
               271           272           273           274           275 
      1   0.184047D+03 -0.340717D+02 -0.119130D+02 -0.753805D+02  0.267435D+02
      2  -0.963527D+02  0.178678D+02  0.741741D+01  0.389923D+02 -0.126547D+02
      3  -0.876945D+02  0.162039D+02  0.449560D+01  0.363881D+02 -0.140888D+02
      4  -0.386640D+02  0.201312D+02  0.388234D+01  0.342551D+02 -0.232554D+02
      5  -0.163580D+02  0.413718D+01  0.171620D+02  0.834354D+01 -0.173336D+01
      6   0.349349D+01 -0.149461D+01 -0.609260D+00 -0.274332D+01  0.203130D+01
               276           277           278           279 
      1   0.622762D+01 -0.727620D+01  0.292521D+01  0.161378D+02
      2  -0.346271D+01  0.552571D+01 -0.128265D+01 -0.973808D+01
      3  -0.276491D+01  0.175049D+01 -0.164256D+01 -0.639968D+01
      4  -0.170455D+01  0.344009D+01  0.341784D+00 -0.676515D+00
      5  -0.593184D+01  0.244447D+02 -0.522186D+00 -0.591683D+01
      6   0.207558D+01 -0.115958D+01  0.255879D+01  0.257685D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x         -0.230106D+01     -0.584870D+01     -0.195092D+02
   y         -0.798511D+00     -0.202961D+01     -0.677006D+01
   z         -0.674119D+00     -0.171344D+01     -0.571542D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.281299D+03      0.416842D+02      0.463799D+02
   yx         0.106827D+02      0.158302D+01      0.176135D+01
   yy         0.160190D+03      0.237378D+02      0.264118D+02
   zx        -0.141450D+02     -0.209608D+01     -0.233220D+01
   zy        -0.467207D+01     -0.692329D+00     -0.770320D+00
   zz         0.110313D+03      0.163467D+02      0.181882D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.203381D+03      0.301379D+02      0.335330D+02
   aniso      0.182868D+03      0.270983D+02      0.301509D+02
   xx         0.317891D+03      0.471066D+02      0.524131D+02
   yx         0.148220D+02      0.219639D+01      0.244381D+01
   yy         0.174301D+03      0.258287D+02      0.287383D+02
   zx        -0.163469D+02     -0.242237D+01     -0.269525D+01
   zy        -0.564060D+01     -0.835851D+00     -0.930010D+00
   zz         0.117951D+03      0.174785D+02      0.194475D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12338185          0.49223693          1.51340259
     6         -0.57995573         -2.10973974          1.49072385
     6          1.38431657          1.53007588         -0.60768762
     6          1.95138584          0.09165340         -2.69432204
     6          1.23879477         -2.49722436         -2.69400009
     6          0.02398726         -3.56186321         -0.68108160
     6         -0.46443182          1.94118218          3.67091306
     1          1.91688099          3.50406373         -0.53294683
     1          1.67820694         -3.63806347         -4.33636436
     1         -0.49392286         -5.54132006         -0.71992624
     6          3.20144364          1.16064163         -5.03218395
     6          4.86113506          3.49582807         -4.57506785
     6          1.30251913          1.82436108         -7.12837068
     1          4.39081065         -0.30670149         -5.86001094
     1          6.28716123          3.08905332         -3.14511231
     1          3.75084012          5.11317076         -3.94213027
     1          5.80306841          4.02667291         -6.32539185
     8          1.87455865          1.91154635         -9.31794983
     8         -1.06105881          2.41992648         -6.37312913
     1         -1.21435168          2.13615832         -4.56731732
     6         -1.68567915          0.90070802          5.70821738
     6         -2.37983872         -1.67912340          5.67349191
     6         -1.82876361         -3.14666237          3.59433155
     8         -3.59170753         -2.84492255          7.61544577
     6         -4.20423909         -1.42127325          9.80196737
     1          0.06311902          3.91859474          3.71059454
     1         -2.10780076          2.06561684          7.32877963
     1         -2.37251671         -5.11802203          3.60095123
     1         -5.48286378          0.13961957          9.35512387
     1         -2.50865707         -0.67879856         10.72108153
     1         -5.14867220         -2.72722381         11.07573807

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252723D+01      0.642359D+01      0.214268D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.138594D+03      0.205376D+02      0.228511D+02
   yx         0.176987D+02      0.262268D+01      0.291813D+01
   yy         0.157677D+03      0.233654D+02      0.259975D+02
   zx        -0.612247D+02     -0.907256D+01     -0.100946D+02
   zy        -0.840107D+01     -0.124491D+01     -0.138515D+01
   zz         0.255531D+03      0.378657D+02      0.421313D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.203381D+03      0.301379D+02      0.335330D+02
   aniso      0.182868D+03      0.270983D+02      0.301509D+02
   xx         0.150359D+03      0.222809D+02      0.247908D+02
   yx         0.192660D+02      0.285493D+01      0.317654D+01
   yy         0.170817D+03      0.253124D+02      0.281639D+02
   zx        -0.714258D+02     -0.105842D+02     -0.117765D+02
   zy        -0.870414D+01     -0.128982D+01     -0.143512D+01
   zz         0.288967D+03      0.428205D+02      0.476442D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-14\Freq\RB3LYP\Gen\C14H14O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.647466,-0.507821,-0.190768\C,-1.077854,0.84889,-0.2837
 37\C,0.729812,-0.810631,-0.325382\C,1.666014,0.171296,-0.544574\C,1.22
 4426,1.518888,-0.634141\C,-0.095519,1.847305,-0.510964\C,-1.620346,-1.
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 IT IS WELL TO REMEMBER THAT MAN IS A PART OF NATURE AND THAT HIS WORKS,
 WHATEVER THEY MAY BE, ARE NO MORE "UNNATURAL" THAN 
 THE FLIGHT OF AN EAGLE OR THE PASSAGE OF A TORNADO.

                                    -- CHARLES MCCARRY IN "THE GREAT SOUTHWEST"
 Job cpu time:       0 days  7 hours 16 minutes  4.3 seconds.
 Elapsed time:       0 days  0 hours 54 minutes 41.7 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:37:35 2021.
